6-amino-7,7-dicyano-2-methyl-8-(4-nitrophenyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid

Chemical Structure Depiction of
6-amino-7,7-dicyano-2-methyl-8-(4-nitrophenyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid
Available: 26 mg
Amount:
mg
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Compound characteristics

Compound ID: 8007-0219
Compound Name: 6-amino-7,7-dicyano-2-methyl-8-(4-nitrophenyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid
Molecular Weight: 379.37
Molecular Formula: C19 H17 N5 O4
Smiles: CN1CC=C2C(C1)C(c1ccc(cc1)[N+]([O-])=O)C(C#N)(C#N)C(=C2C(O)=O)N
Stereo: MIXTURE OF STEREOISOMERS
logP: 1.2345
logD: -2.895
logSw: -2.3774
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 3
Polar surface area: 120.499
InChI Key: SMSJFGLOHGWJKB-UHFFFAOYSA-N
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