N-[(4-methoxyphenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(4-methoxyphenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0915 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 548.58 |
| Molecular Formula: | C30 H23 F3 N2 O3 S |
| Smiles: | COc1ccc(CNC(c2ccc3c(c2)N(Cc2ccc(cc2)C(F)(F)F)C(c2ccccc2S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6994 |
| logD: | 6.6994 |
| logSw: | -5.6146 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.358 |
| InChI Key: | DIRJGQUOPSNRGT-UHFFFAOYSA-N |