10-[(4-chlorophenyl)methyl]-8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(4-chlorophenyl)methyl]-8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0542 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 590.53 |
| Molecular Formula: | C31 H25 Cl2 N3 O3 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2=O)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2498 |
| logD: | 5.2498 |
| logSw: | -5.6545 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.693 |
| InChI Key: | SQFPXCZIVDTLAS-UHFFFAOYSA-N |