8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10-[(3-chlorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10-[(3-chlorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10-[(3-chlorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | K788-8380 |
| Compound Name: | 8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10-[(3-chlorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 614.12 |
| Molecular Formula: | C33 H28 Cl N3 O5 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2791 |
| logD: | 4.0876 |
| logSw: | -4.3994 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.089 |
| InChI Key: | QHSVNCWLIMSKPP-UHFFFAOYSA-N |