rel-(5aR,9aS)-1-(ethanesulfonyl)-7-{[4-(trifluoromethyl)phenyl]methyl}decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-(ethanesulfonyl)-7-{[4-(trifluoromethyl)phenyl]methyl}decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-(ethanesulfonyl)-7-{[4-(trifluoromethyl)phenyl]methyl}decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0961 |
| Compound Name: | rel-(5aR,9aS)-1-(ethanesulfonyl)-7-{[4-(trifluoromethyl)phenyl]methyl}decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 406.47 |
| Molecular Formula: | C18 H25 F3 N2 O3 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1ccc(cc1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3387 |
| logD: | 1.3396 |
| logSw: | -2.5414 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.314 |
| InChI Key: | LURLNRPETKDLJY-RDJZCZTQSA-N |