rel-(5aR,9aS)-7-[(4-fluorophenyl)methyl]-4-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(4-fluorophenyl)methyl]-4-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-[(4-fluorophenyl)methyl]-4-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0049 |
| Compound Name: | rel-(5aR,9aS)-7-[(4-fluorophenyl)methyl]-4-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 305.35 |
| Molecular Formula: | C16 H20 F N3 O2 |
| Smiles: | CN1CC(N[C@@H]2CCN(Cc3ccc(cc3)F)C[C@@H]2C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4247 |
| logD: | 0.033 |
| logSw: | -2.0541 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.013 |
| InChI Key: | CUMKULGTLAROQO-ZIAGYGMSSA-N |