rel-(2R,3R,12aS)-3-benzoyl-2-(3-methoxyphenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile

Chemical Structure Depiction of
rel-(2R,3R,12aS)-3-benzoyl-2-(3-methoxyphenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
Available: 7 mg
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mg
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Compound characteristics

Compound ID: 8005-0381
Compound Name: rel-(2R,3R,12aS)-3-benzoyl-2-(3-methoxyphenyl)-2,3-dihydrobenzo[f]pyrrolo[1,2-a]quinoline-1,1(12aH)-dicarbonitrile
Molecular Weight: 481.55
Molecular Formula: C32 H23 N3 O2
Smiles: [H][C@]1(c2cccc(c2)OC)[C@](C#N)(C#N)[C@@]2([H])C=Cc3c(ccc4ccccc34)N2[C@]1([H])C(c1ccccc1)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 6.0801
logD: 5.9677
logSw: -6.9191
Hydrogen bond acceptors count: 5
Polar surface area: 57.084
InChI Key: IXRGUVZGMXKROK-JBOQNHBVSA-N
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