10-[(2-chloro-4-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-4-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-4-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-7105 |
| Compound Name: | 10-[(2-chloro-4-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 633.16 |
| Molecular Formula: | C34 H31 Cl F2 N4 O2 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccc(cc1[Cl])F)C(c1ccccc1S2)=O)=O)CN1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 6.6736 |
| logD: | 6.3724 |
| logSw: | -6.3277 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.597 |
| InChI Key: | KDMHAHQYIOVIKG-UHFFFAOYSA-N |