rel-(5aR,9aR)-8-[(6-methoxypyridin-2-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aR)-8-[(6-methoxypyridin-2-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
rel-(5aR,9aR)-8-[(6-methoxypyridin-2-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD15-0414 |
| Compound Name: | rel-(5aR,9aR)-8-[(6-methoxypyridin-2-yl)methyl]-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C17 H24 N4 O3 |
| Smiles: | CN1CC(N(C)[C@@H]2CN(CC[C@@H]2C1=O)Cc1cccc(n1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0316 |
| logD: | -1.7562 |
| logSw: | -1.6922 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.908 |
| InChI Key: | ZIOMVLHKPQSMRO-KGLIPLIRSA-N |