rel-(5aR,9aS)-1-methyl-7-[(3-phenyl-1H-pyrazol-4-yl)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)-1-methyl-7-[(3-phenyl-1H-pyrazol-4-yl)methyl]-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-1-methyl-7-[(3-phenyl-1H-pyrazol-4-yl)methyl]-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0606 |
| Compound Name: | rel-(5aR,9aS)-1-methyl-7-[(3-phenyl-1H-pyrazol-4-yl)methyl]-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 444.54 |
| Molecular Formula: | C25 H28 N6 O2 |
| Smiles: | CN1C(CN(Cc2cccnc2)C([C@H]2CN(CC[C@@H]12)Cc1c[nH]nc1c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3493 |
| logD: | -1.4649 |
| logSw: | -1.5437 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.074 |
| InChI Key: | HJOZXLKDRRWSJH-YADHBBJMSA-N |