rel-(5aR,9aS)-7-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0673 |
| Compound Name: | rel-(5aR,9aS)-7-[(3,5-dimethoxyphenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C24 H30 N4 O4 |
| Smiles: | CN1C(CN(Cc2cccnc2)C([C@H]2CN(CC[C@@H]12)Cc1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4537 |
| logD: | -2.7403 |
| logSw: | -1.379 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.972 |
| InChI Key: | AVSWENNUCMPRKY-YADHBBJMSA-N |