rel-(5aR,9aS)-1,4-dimethyl-7-[(3-methylphenyl)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-methylphenyl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-1,4-dimethyl-7-[(3-methylphenyl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0499 |
| Compound Name: | rel-(5aR,9aS)-1,4-dimethyl-7-[(3-methylphenyl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 315.41 |
| Molecular Formula: | C18 H25 N3 O2 |
| Smiles: | Cc1cccc(CN2CC[C@@H]3[C@H](C2)C(N(C)CC(N3C)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8457 |
| logD: | 0.2595 |
| logSw: | -2.0206 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.353 |
| InChI Key: | PABWAPXKVQMPMW-CVEARBPZSA-N |