8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10-[(3-chlorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10-[(3-chlorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10-[(3-chlorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | K788-8634 |
| Compound Name: | 8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10-[(3-chlorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 630.12 |
| Molecular Formula: | C33 H28 Cl N3 O6 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4088 |
| logD: | 4.2172 |
| logSw: | -4.4887 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.685 |
| InChI Key: | BPCOJHDIHQHKFS-UHFFFAOYSA-N |