N-[2-(4-chlorophenyl)ethyl]-10-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-10-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-chlorophenyl)ethyl]-10-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0828 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-10-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 545.12 |
| Molecular Formula: | C30 H25 Cl N2 O2 S2 |
| Smiles: | CSc1ccc(CN2C(c3ccccc3Sc3ccc(cc23)C(NCCc2ccc(cc2)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.0918 |
| logD: | 7.0918 |
| logSw: | -6.1466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.655 |
| InChI Key: | GTPNYPYGVXNROG-UHFFFAOYSA-N |