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

Compound ID: SD14-0636
Compound Name: rel-(5aR,9aS)-7-[(1-ethyl-1H-indol-3-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Molecular Weight: 445.56
Molecular Formula: C26 H31 N5 O2
Smiles: CCn1cc(CN2CC[C@@H]3[C@H](C2)C(N(CC(N3C)=O)Cc2cccnc2)=O)c2ccccc12
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 0.8576
logD: -2.5577
logSw: -1.645
Hydrogen bond acceptors count: 6
Polar surface area: 47.613
InChI Key: VTBAVCZZZXDEEI-PKTZIBPZSA-N
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