rel-(5aR,9aS)-1-methyl-4-[(pyridin-3-yl)methyl]-7-{[4-(trifluoromethyl)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-1-methyl-4-[(pyridin-3-yl)methyl]-7-{[4-(trifluoromethyl)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-1-methyl-4-[(pyridin-3-yl)methyl]-7-{[4-(trifluoromethyl)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0653 |
| Compound Name: | rel-(5aR,9aS)-1-methyl-4-[(pyridin-3-yl)methyl]-7-{[4-(trifluoromethyl)phenyl]methyl}octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 446.47 |
| Molecular Formula: | C23 H25 F3 N4 O2 |
| Smiles: | CN1C(CN(Cc2cccnc2)C([C@H]2CN(CC[C@@H]12)Cc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1966 |
| logD: | 0.2974 |
| logSw: | -1.818 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.884 |
| InChI Key: | QWACIEKUNRZRBZ-WOJBJXKFSA-N |