rel-(5aR,9aS)-1-methyl-4,7-bis[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-1-methyl-4,7-bis[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-1-methyl-4,7-bis[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0644 |
| Compound Name: | rel-(5aR,9aS)-1-methyl-4,7-bis[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C21 H25 N5 O2 |
| Smiles: | CN1C(CN(Cc2cccnc2)C([C@H]2CN(CC[C@@H]12)Cc1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.9893 |
| logD: | -1.152 |
| logSw: | -1.1519 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.402 |
| InChI Key: | JOCUNELRJDORIH-MOPGFXCFSA-N |