N-[(4-fluorophenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(4-fluorophenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C795-0521 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 536.55 |
| Molecular Formula: | C29 H20 F4 N2 O2 S |
| Smiles: | C(c1ccc(cc1)F)NC(c1ccc2c(c1)N(Cc1ccc(cc1)C(F)(F)F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7461 |
| logD: | 6.746 |
| logSw: | -6.1933 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.814 |
| InChI Key: | XWMFHHIQHNAOPG-UHFFFAOYSA-N |