rel-(5aR,9aS)-7-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)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-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0624 |
| Compound Name: | rel-(5aR,9aS)-7-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 424.55 |
| Molecular Formula: | C23 H32 N6 O2 |
| Smiles: | CCn1c(C)c(CN2CC[C@@H]3[C@H](C2)C(N(CC(N3C)=O)Cc2cccnc2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6119 |
| logD: | -5.1244 |
| logSw: | -1.3284 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.162 |
| InChI Key: | LSOZFTWBIYOTKM-RTWAWAEBSA-N |