rel-(5aR,9aS)-4-benzyl-1-methyl-7-[(quinolin-2-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-4-benzyl-1-methyl-7-[(quinolin-2-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-4-benzyl-1-methyl-7-[(quinolin-2-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0764 |
| Compound Name: | rel-(5aR,9aS)-4-benzyl-1-methyl-7-[(quinolin-2-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C26 H28 N4 O2 |
| Smiles: | CN1C(CN(Cc2ccccc2)C([C@H]2CN(CC[C@@H]12)Cc1ccc2ccccc2n1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0611 |
| logD: | 2.0317 |
| logSw: | -2.6583 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.192 |
| InChI Key: | XEGFHBHUCCEQSX-VWNXMTODSA-N |