rel-(5aR,9aS)-7-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-7-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0515 |
| Compound Name: | rel-(5aR,9aS)-7-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 403.83 |
| Molecular Formula: | C18 H21 Cl F3 N3 O2 |
| Smiles: | CN1CC(N(C)[C@@H]2CCN(Cc3cc(ccc3[Cl])C(F)(F)F)C[C@@H]2C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.765 |
| logD: | 1.7457 |
| logSw: | -2.9813 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.353 |
| InChI Key: | UWXIVYVTAINQEN-UKRRQHHQSA-N |