rel-(5aR,9aR)-1,4-dimethyl-8-[(quinolin-2-yl)methyl]octahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aR)-1,4-dimethyl-8-[(quinolin-2-yl)methyl]octahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
rel-(5aR,9aR)-1,4-dimethyl-8-[(quinolin-2-yl)methyl]octahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD15-0465 |
| Compound Name: | rel-(5aR,9aR)-1,4-dimethyl-8-[(quinolin-2-yl)methyl]octahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C20 H24 N4 O2 |
| Smiles: | CN1CC(N(C)[C@@H]2CN(CC[C@@H]2C1=O)Cc1ccc2ccccc2n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6845 |
| logD: | 0.5575 |
| logSw: | -2.1226 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.179 |
| InChI Key: | VPEJGBAICISKOL-AEFFLSMTSA-N |