rel-(5aR,9aS)-7-[(3,4-dimethylphenyl)methyl]-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(3,4-dimethylphenyl)methyl]-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-[(3,4-dimethylphenyl)methyl]-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0535 |
| Compound Name: | rel-(5aR,9aS)-7-[(3,4-dimethylphenyl)methyl]-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 329.44 |
| Molecular Formula: | C19 H27 N3 O2 |
| Smiles: | Cc1ccc(CN2CC[C@@H]3[C@H](C2)C(N(C)CC(N3C)=O)=O)cc1C |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.177 |
| logD: | 0.1388 |
| logSw: | -2.4196 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.353 |
| InChI Key: | PMVLVIOKQRRNIZ-SJORKVTESA-N |