
 Telenzepine

 48 51  0  0  0  0  0  0  0  0999 V2000
    4.1341   -1.4634    1.8531 C   0  0  0  0  0
    4.4110   -1.0680    0.4367 C   0  0  0  0  0
    5.0302    0.0691   -0.0753 C   0  0  0  0  0
    5.1730   -0.0042   -1.4996 C   0  0  0  0  0
    4.5970   -1.1569   -2.0042 C   0  0  0  0  0
    3.9518   -2.1624   -0.7976 S   0  0  0  0  0
    5.7473    0.9873   -2.3876 C   0  0  0  0  0
    5.4428    1.0443   -3.5818 O   0  0  0  0  0
    6.7389    1.8181   -1.9406 N   0  0  0  0  0
    7.3909    1.8648   -0.6981 C   0  0  0  0  0
    8.7123    2.3474   -0.7422 C   0  0  0  0  0
    9.5038    2.3957    0.4040 C   0  0  0  0  0
    8.9836    1.9610    1.6133 C   0  0  0  0  0
    7.6609    1.5206    1.6775 C   0  0  0  0  0
    6.8276    1.5113    0.5417 C   0  0  0  0  0
    5.4598    1.1535    0.7104 N   0  0  0  0  0
    4.5702    1.7323    1.6295 C   0  0  0  0  0
    3.3943    1.3594    1.7608 O   0  0  0  0  0
    5.0109    2.9389    2.4753 C   0  0  0  0  0
    5.3352    4.1339    1.6645 N   0  0  0  0  0
    4.1475    4.6638    0.9547 C   0  0  0  0  0
    3.0925    5.3502    1.8594 C   0  0  0  0  0
    3.6253    6.3838    2.7707 N   0  0  0  0  0
    4.8343    5.8878    3.4542 C   0  0  0  0  0
    5.8762    5.2053    2.5313 C   0  0  0  0  0
    3.8879    7.6357    2.0633 C   0  0  0  0  0
    4.7356   -0.8832    2.5594 H   0  0  0  0  0
    4.3808   -2.5171    2.0238 H   0  0  0  0  0
    3.0762   -1.3161    2.0933 H   0  0  0  0  0
    4.5298   -1.4523   -3.0435 H   0  0  0  0  0
    7.1782    2.2932   -2.7190 H   0  0  0  0  0
    9.1563    2.6605   -1.6852 H   0  0  0  0  0
   10.5299    2.7498    0.3442 H   0  0  0  0  0
    9.6018    1.9644    2.5074 H   0  0  0  0  0
    7.2929    1.1534    2.6322 H   0  0  0  0  0
    5.8534    2.6448    3.1043 H   0  0  0  0  0
    4.1987    3.1445    3.1834 H   0  0  0  0  0
    4.5027    5.3929    0.2146 H   0  0  0  0  0
    3.6658    3.8761    0.3641 H   0  0  0  0  0
    2.2973    5.7731    1.2326 H   0  0  0  0  0
    2.5971    4.5864    2.4716 H   0  0  0  0  0
    5.3172    6.7022    4.0089 H   0  0  0  0  0
    4.5150    5.1717    4.2221 H   0  0  0  0  0
    6.3338    5.9658    1.8858 H   0  0  0  0  0
    6.6997    4.8133    3.1414 H   0  0  0  0  0
    4.2202    8.4068    2.7678 H   0  0  0  0  0
    2.9681    8.0151    1.6043 H   0  0  0  0  0
    4.6465    7.5390    1.2804 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 25  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 21 39  1  0  0  0
 22 23  1  0  0  0
 22 40  1  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  1  0  0  0
 24 42  1  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
 25 45  1  0  0  0
 26 46  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
M  END

>  <Chemical Name>
Telenzepine

>  <PubChem CID>
5387

>  <Formula>
C19H22N4O2S

>  <Molecular Weight>
370.471000

>  <IUPAC Name>
1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C

>  <Isomeric SMILES>
CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C

>  <InChI Std. ID>
InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25)

>  <InChI Key>
VSWPGAIWKHPTKX-UHFFFAOYSA-N

