N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0073 |
| Compound Name: | N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 507.05 |
| Molecular Formula: | C27 H27 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1N1CCN(CCNC(c2ccc3c(c2)NC(c2ccccc2S3)=O)=O)CC1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1514 |
| logD: | 5.0374 |
| logSw: | -5.3603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.372 |
| InChI Key: | SBKZGSGPYUUDMH-UHFFFAOYSA-N |