rel-(5aR,9aS)-7-[(3-ethoxyphenyl)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-[(3-ethoxyphenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-[(3-ethoxyphenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
Compound ID: | SD14-0598 |
Compound Name: | rel-(5aR,9aS)-7-[(3-ethoxyphenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
Molecular Weight: | 422.53 |
Molecular Formula: | C24 H30 N4 O3 |
Smiles: | CCOc1cccc(CN2CC[C@@H]3[C@H](C2)C(N(CC(N3C)=O)Cc2cccnc2)=O)c1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.7667 |
logD: | -0.9879 |
logSw: | -1.4879 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 53.008 |
InChI Key: | PZISTHZXOLFZPT-YADHBBJMSA-N |