rel-(5aR,9aS)-1-benzyl-7-{[4-(trifluoromethyl)phenyl]methyl}decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-{[4-(trifluoromethyl)phenyl]methyl}decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-{[4-(trifluoromethyl)phenyl]methyl}decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0304 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-{[4-(trifluoromethyl)phenyl]methyl}decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C23 H27 F3 N2 O |
| Smiles: | C1CN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]2COCCN(Cc3ccccc3)[C@H]12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0539 |
| logD: | 3.2718 |
| logSw: | -4.2619 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 15.5582 |
| InChI Key: | XRQKSVZRLHMSAS-RBBKRZOGSA-N |