rel-(5aR,9aS)-7-[(3,4-dimethylphenyl)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-[(3,4-dimethylphenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Available: 5 mg
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mg
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Compound characteristics

Compound ID: SD14-0652
Compound Name: rel-(5aR,9aS)-7-[(3,4-dimethylphenyl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Molecular Weight: 406.53
Molecular Formula: C24 H30 N4 O2
Smiles: Cc1ccc(CN2CC[C@@H]3[C@H](C2)C(N(CC(N3C)=O)Cc2cccnc2)=O)cc1C
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 1.3017
logD: 0.1201
logSw: -1.8956
Hydrogen bond acceptors count: 6
Polar surface area: 45.884
InChI Key: ZDUPCXQKCZIWQI-YADHBBJMSA-N
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