N-benzyl-N-methyl-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-benzyl-N-methyl-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-benzyl-N-methyl-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0945 |
| Compound Name: | N-benzyl-N-methyl-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 532.58 |
| Molecular Formula: | C30 H23 F3 N2 O2 S |
| Smiles: | CN(Cc1ccccc1)C(c1ccc2c(c1)N(Cc1ccc(cc1)C(F)(F)F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8562 |
| logD: | 6.8562 |
| logSw: | -5.6397 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.5511 |
| InChI Key: | YQKQBWHETGWNCR-UHFFFAOYSA-N |