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