6-amino-8-(2,4-dimethylphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(2,4-dimethylphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(2,4-dimethylphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
Compound ID: | 8007-8674 |
Compound Name: | 6-amino-8-(2,4-dimethylphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
Molecular Weight: | 343.43 |
Molecular Formula: | C21 H21 N5 |
Smiles: | Cc1ccc(C2C3CN(C)CC=C3C(C#N)=C(C2(C#N)C#N)N)c(C)c1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.0002 |
logD: | 2.9999 |
logSw: | -2.945 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.765 |
InChI Key: | QHMKIXUOAUYQTO-UHFFFAOYSA-N |