rel-(5aR,9aS)-4-methyl-7-[(4-methylphenyl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-4-methyl-7-[(4-methylphenyl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-4-methyl-7-[(4-methylphenyl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0058 |
| Compound Name: | rel-(5aR,9aS)-4-methyl-7-[(4-methylphenyl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 301.39 |
| Molecular Formula: | C17 H23 N3 O2 |
| Smiles: | Cc1ccc(CN2CC[C@@H]3[C@H](C2)C(N(C)CC(N3)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.819 |
| logD: | -0.3175 |
| logSw: | -2.1873 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.013 |
| InChI Key: | KNGCPVUIFADCBF-CABCVRRESA-N |