rel-(5aR,9aS)-4-methyl-7-{[4-(trifluoromethoxy)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-4-methyl-7-{[4-(trifluoromethoxy)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-4-methyl-7-{[4-(trifluoromethoxy)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0047 |
| Compound Name: | rel-(5aR,9aS)-4-methyl-7-{[4-(trifluoromethoxy)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 371.36 |
| Molecular Formula: | C17 H20 F3 N3 O3 |
| Smiles: | CN1CC(N[C@@H]2CCN(Cc3ccc(cc3)OC(F)(F)F)C[C@@H]2C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5869 |
| logD: | 1.1092 |
| logSw: | -2.4109 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.949 |
| InChI Key: | JTIPUVMDIMIKLT-ZIAGYGMSSA-N |