rel-(5aR,9aS)-1,4-dimethyl-7-{[3-(trifluoromethoxy)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-{[3-(trifluoromethoxy)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-1,4-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0509 |
| Compound Name: | rel-(5aR,9aS)-1,4-dimethyl-7-{[3-(trifluoromethoxy)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 385.38 |
| Molecular Formula: | C18 H22 F3 N3 O3 |
| Smiles: | CN1CC(N(C)[C@@H]2CCN(Cc3cccc(c3)OC(F)(F)F)C[C@@H]2C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3782 |
| logD: | -0.2241 |
| logSw: | -2.3128 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.29 |
| InChI Key: | SIQBWZZUHDZDAY-HUUCEWRRSA-N |