6-amino-2-benzyl-8-(4-nitrophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Chemical Structure Depiction of
6-amino-2-benzyl-8-(4-nitrophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Available: 3 mg
Amount:
mg
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Compound characteristics

Compound ID: 8002-4445
Compound Name: 6-amino-2-benzyl-8-(4-nitrophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Molecular Weight: 436.47
Molecular Formula: C25 H20 N6 O2
Smiles: C1C=C2C(CN1Cc1ccccc1)C(c1ccc(cc1)[N+]([O-])=O)C(C#N)(C#N)C(=C2C#N)N
Stereo: MIXTURE OF STEREOISOMERS
logP: 3.4054
logD: 3.4052
logSw: -3.547
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 109.211
InChI Key: UYJATSFXZGLALP-UHFFFAOYSA-N
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