rel-(5aR,9aS)-7-[(4-chlorophenyl)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-[(4-chlorophenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-[(4-chlorophenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0646 |
| Compound Name: | rel-(5aR,9aS)-7-[(4-chlorophenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 412.92 |
| Molecular Formula: | C22 H25 Cl N4 O2 |
| Smiles: | CN1C(CN(Cc2cccnc2)C([C@H]2CN(CC[C@@H]12)Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9186 |
| logD: | 0.726 |
| logSw: | -2.2977 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.884 |
| InChI Key: | KBXIIGMIUWHAPO-WOJBJXKFSA-N |