rel-(5aR,9aS)-1,4-dimethyl-7-{[4-(trifluoromethyl)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-1,4-dimethyl-7-{[4-(trifluoromethyl)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-1,4-dimethyl-7-{[4-(trifluoromethyl)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0534 |
| Compound Name: | rel-(5aR,9aS)-1,4-dimethyl-7-{[4-(trifluoromethyl)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 369.39 |
| Molecular Formula: | C18 H22 F3 N3 O2 |
| Smiles: | CN1CC(N(C)[C@@H]2CCN(Cc3ccc(cc3)C(F)(F)F)C[C@@H]2C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0718 |
| logD: | 0.3052 |
| logSw: | -2.3142 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.353 |
| InChI Key: | OQUHKLJYMFXQNO-HUUCEWRRSA-N |