N-[(1-ethylpyrrolidin-2-yl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(1-ethylpyrrolidin-2-yl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(1-ethylpyrrolidin-2-yl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0925 |
| Compound Name: | N-[(1-ethylpyrrolidin-2-yl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 539.62 |
| Molecular Formula: | C29 H28 F3 N3 O2 S |
| Smiles: | CCN1CCCC1CNC(c1ccc2c(c1)N(Cc1ccc(cc1)C(F)(F)F)C(c1ccccc1S2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7123 |
| logD: | 5.1719 |
| logSw: | -5.364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.721 |
| InChI Key: | YDBKIQPKQSPWBG-JOCHJYFZSA-N |