
 CHEMBL118929

 42 44  0  0  0  0  0  0  0  0999 V2000
    4.4328    1.6102   -3.9948 C   0  0  0  0  0
    3.9643    1.0532   -2.7506 N   0  0  0  0  0
    3.0181    1.7233   -2.0156 C   0  0  0  0  0
    2.5360    2.8065   -2.3404 O   0  0  0  0  0
    2.6242    1.0671   -0.8522 N   0  0  0  0  0
    3.6052    0.4865    0.0581 C   0  0  0  0  0
    3.0627   -0.7775    0.6600 C   0  0  0  0  0
    3.5375   -1.9900    0.3314 C   0  0  0  0  0
    2.9669   -3.1484    1.0058 C   0  0  0  0  0
    2.1736   -2.9587    2.1414 C   0  0  0  0  0
    1.6956   -4.0534    2.8588 C   0  0  0  0  0
    1.9926   -5.3476    2.4290 C   0  0  0  0  0
    2.7789   -5.5471    1.2914 C   0  0  0  0  0
    3.2499   -4.4462    0.5677 C   0  0  0  0  0
    2.9897   -6.8611    0.9321 O   0  0  0  0  0
    4.1245   -7.1780    0.2234 C   0  0  0  0  0
    3.9616   -7.9706   -0.9130 C   0  0  0  0  0
    5.0756   -8.3463   -1.6639 C   0  0  0  0  0
    6.3508   -7.9387   -1.2708 C   0  0  0  0  0
    6.5157   -7.1708   -0.1172 C   0  0  0  0  0
    5.4038   -6.8023    0.6413 C   0  0  0  0  0
    1.8712   -1.7175    2.6316 O   0  0  0  0  0
    1.9657   -0.6363    1.6858 C   0  0  0  0  0
    1.6833    1.8527   -0.1100 O   0  0  0  0  0
    4.9216    2.5684   -3.7973 H   0  0  0  0  0
    3.5867    1.7662   -4.6690 H   0  0  0  0  0
    5.1453    0.9136   -4.4428 H   0  0  0  0  0
    3.8905    0.0462   -2.6972 H   0  0  0  0  0
    3.8497    1.2199    0.8363 H   0  0  0  0  0
    4.5415    0.2851   -0.4736 H   0  0  0  0  0
    4.3257   -2.1382   -0.3969 H   0  0  0  0  0
    1.0923   -3.8982    3.7486 H   0  0  0  0  0
    1.6130   -6.2016    2.9840 H   0  0  0  0  0
    3.8382   -4.5918   -0.3332 H   0  0  0  0  0
    2.9680   -8.2912   -1.2141 H   0  0  0  0  0
    4.9495   -8.9593   -2.5526 H   0  0  0  0  0
    7.2183   -8.2300   -1.8577 H   0  0  0  0  0
    7.5109   -6.8659    0.1953 H   0  0  0  0  0
    5.5398   -6.2223    1.5499 H   0  0  0  0  0
    2.1301    0.2666    2.2838 H   0  0  0  0  0
    0.9935   -0.5325    1.1894 H   0  0  0  0  0
    1.5510    2.6258   -0.7037 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 24  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 23  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 39  1  0  0  0
 22 23  1  0  0  0
 23 40  1  0  0  0
 23 41  1  0  0  0
 24 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL118929

>  <PubChem CID>
14971286

>  <Formula>
C18H18N2O4

>  <Molecular Weight>
326.352000

>  <IUPAC Name>
1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CNC(=O)N(CC1=CC2=C(C=CC(=C2)OC3=CC=CC=C3)OC1)O

>  <Isomeric SMILES>
CNC(=O)N(CC1=CC2=C(C=CC(=C2)OC3=CC=CC=C3)OC1)O

>  <InChI Std. ID>
InChI=1S/C18H18N2O4/c1-19-18(21)20(22)11-13-9-14-10-16(7-8-17(14)23-12-13)24-15-5-3-2-4-6-15/h2-10,22H,11-12H2,1H3,(H,19,21)

>  <InChI Key>
ADEXLPGNFPLCCW-UHFFFAOYSA-N

