10-[(2-chloro-4-fluorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-4-fluorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-4-fluorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-7108 |
| Compound Name: | 10-[(2-chloro-4-fluorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 635.59 |
| Molecular Formula: | C33 H29 Cl2 F N4 O2 S |
| Smiles: | C(CN1CCN(CC1)c1cccc(c1)[Cl])NC(c1ccc2c(c1)N(Cc1ccc(cc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9555 |
| logD: | 6.9314 |
| logSw: | -6.4491 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.898 |
| InChI Key: | WUTQKDJHCOFERT-UHFFFAOYSA-N |