N-{2-[4-(methylsulfanyl)phenyl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0149 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C23 H20 N2 O2 S2 |
| Smiles: | CSc1ccc(CCNC(c2ccc3c(c2)NC(c2ccccc2S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7188 |
| logD: | 4.7179 |
| logSw: | -4.4024 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.43 |
| InChI Key: | HYILDUDMQYWQSA-UHFFFAOYSA-N |