N-[(5-bromo-2-methoxyphenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C795-0439 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 627.48 |
| Molecular Formula: | C30 H22 Br F3 N2 O3 S |
| Smiles: | COc1ccc(cc1CNC(c1ccc2c(c1)N(Cc1ccc(cc1)C(F)(F)F)C(c1ccccc1S2)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.6103 |
| logD: | 7.6103 |
| logSw: | -5.6487 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.444 |
| InChI Key: | CHQWIQLUCYFUPZ-UHFFFAOYSA-N |