N-[(2,3-dimethoxyphenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(2,3-dimethoxyphenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C795-0437 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 578.61 |
| Molecular Formula: | C31 H25 F3 N2 O4 S |
| Smiles: | COc1cccc(CNC(c2ccc3c(c2)N(Cc2ccc(cc2)C(F)(F)F)C(c2ccccc2S3)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 6.8579 |
| logD: | 6.8579 |
| logSw: | -5.6709 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.161 |
| InChI Key: | TVXVZXZHIAQNSL-UHFFFAOYSA-N |