
 SCHEMBL1614465

 63 66  0  0  0  0  0  0  0  0999 V2000
    2.7675    0.0521   -3.3031 C   0  0  0  0  0
    3.7425    0.5289   -2.2358 C   0  0  0  0  0
    3.0525    0.6374   -0.8727 C   0  0  0  0  0
    3.9678    1.1053    0.1779 N   0  0  0  0  0
    4.3451    0.1920    1.2732 C   0  0  0  0  0
    3.1877   -0.4871    1.9804 C   0  0  0  0  0
    3.8952   -1.6351    2.6695 C   0  0  0  0  0
    4.9615   -2.0495    1.8034 O   0  0  0  0  0
    5.2071   -0.9919    0.8545 C   0  0  0  0  0
    4.5177    2.3665    0.1388 C   0  0  0  0  0
    3.9932    3.5245   -0.3698 C   0  0  0  0  0
    4.8671    4.5586   -0.1119 N   0  0  0  0  0
    4.4064    5.8165   -0.4961 C   0  0  0  0  0
    3.1914    5.7480   -1.0724 C   0  0  0  0  0
    2.5478    4.1141   -1.1519 S   0  0  0  0  0
    5.1399    7.0726   -0.2770 C   0  0  0  0  0
    4.6179    8.0735    0.5692 C   0  0  0  0  0
    5.3383    9.2546    0.7867 C   0  0  0  0  0
    6.5671    9.4756    0.1479 C   0  0  0  0  0
    7.0664    8.4981   -0.7205 C   0  0  0  0  0
    6.3745    7.2975   -0.9118 C   0  0  0  0  0
    6.8342    6.3547   -1.7994 O   0  0  0  0  0
    8.1728    5.9457   -1.5216 C   0  0  0  0  0
    7.3059   10.7712    0.3511 C   0  0  0  0  0
    6.7722   11.7303   -0.5558 O   0  0  0  0  0
    7.4346   12.9816   -0.4463 C   0  0  0  0  0
    3.4180    7.8053    1.1848 O   0  0  0  0  0
    2.6164    8.9352    1.5111 C   0  0  0  0  0
    5.9956    4.1274    0.4995 N   0  0  0  0  0
    5.7848    2.8138    0.6349 C   0  0  0  0  0
    6.7459    2.0245    1.1744 O   0  0  0  0  0
    7.8894    2.7229    1.6489 C   0  0  0  0  0
    3.2812   -0.0691   -4.2617 H   0  0  0  0  0
    1.9564    0.7745   -3.4406 H   0  0  0  0  0
    2.3250   -0.9120   -3.0314 H   0  0  0  0  0
    4.1645    1.4906   -2.5453 H   0  0  0  0  0
    4.5792   -0.1764   -2.1739 H   0  0  0  0  0
    2.6617   -0.3568   -0.6373 H   0  0  0  0  0
    2.1708    1.2835   -0.9263 H   0  0  0  0  0
    4.8739    0.7393    2.0647 H   0  0  0  0  0
    2.4415   -0.8954    1.2942 H   0  0  0  0  0
    2.6637    0.1686    2.6818 H   0  0  0  0  0
    4.3367   -1.3158    3.6199 H   0  0  0  0  0
    3.2314   -2.4825    2.8620 H   0  0  0  0  0
    6.2740   -0.7479    0.8568 H   0  0  0  0  0
    4.9496   -1.3785   -0.1356 H   0  0  0  0  0
    2.6272    6.5944   -1.4425 H   0  0  0  0  0
    4.9601   10.0229    1.4544 H   0  0  0  0  0
    7.9864    8.6889   -1.2672 H   0  0  0  0  0
    8.8859    6.6447   -1.9699 H   0  0  0  0  0
    8.3263    4.9665   -1.9851 H   0  0  0  0  0
    8.3605    5.8435   -0.4465 H   0  0  0  0  0
    8.3782   10.6314    0.1683 H   0  0  0  0  0
    7.1810   11.1182    1.3842 H   0  0  0  0  0
    6.9900   13.6706   -1.1694 H   0  0  0  0  0
    8.4992   12.8743   -0.6757 H   0  0  0  0  0
    7.3048   13.3971    0.5576 H   0  0  0  0  0
    2.9897    9.4278    2.4141 H   0  0  0  0  0
    1.6048    8.5753    1.7222 H   0  0  0  0  0
    2.5508    9.6401    0.6750 H   0  0  0  0  0
    8.5853    1.9822    2.0551 H   0  0  0  0  0
    7.6256    3.4099    2.4604 H   0  0  0  0  0
    8.4056    3.2487    0.8378 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  5  9  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  9 45  1  0  0  0
  9 46  1  0  0  0
 10 30  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 13 16  1  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 27  1  0  0  0
 18 19  2  0  0  0
 18 48  1  0  0  0
 19 20  1  0  0  0
 19 24  1  0  0  0
 20 21  2  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 23 50  1  0  0  0
 23 51  1  0  0  0
 23 52  1  0  0  0
 24 25  1  0  0  0
 24 53  1  0  0  0
 24 54  1  0  0  0
 25 26  1  0  0  0
 26 55  1  0  0  0
 26 56  1  0  0  0
 26 57  1  0  0  0
 27 28  1  0  0  0
 28 58  1  0  0  0
 28 59  1  0  0  0
 28 60  1  0  0  0
 29 30  2  0  0  0
 30 31  1  0  0  0
 31 32  1  0  0  0
 32 61  1  0  0  0
 32 62  1  0  0  0
 32 63  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1614465

>  <PubChem CID>
58223415

>  <Formula>
C23H31N3O5S

>  <Molecular Weight>
461.577000

>  <IUPAC Name>
3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-6-methoxy-N-(oxolan-3-yl)-N-propylpyrazolo[5,1-b][1,3]thiazol-7-amine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCN(C1CCOC1)C2=C3N(C(=CS3)C4=C(C=C(C=C4OC)COC)OC)N=C2OC

>  <Isomeric SMILES>
CCCN(C1CCOC1)C2=C3N(C(=CS3)C4=C(C=C(C=C4OC)COC)OC)N=C2OC

>  <InChI Std. ID>
InChI=1S/C23H31N3O5S/c1-6-8-25(16-7-9-31-13-16)21-22(30-5)24-26-17(14-32-23(21)26)20-18(28-3)10-15(12-27-2)11-19(20)29-4/h10-11,14,16H,6-9,12-13H2,1-5H3

>  <InChI Key>
BEKKKBHJDOWLJO-UHFFFAOYSA-N

