6-amino-8-(2,3-dimethoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-(2,3-dimethoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-8-(2,3-dimethoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
Compound ID: | 3132-0665 |
Compound Name: | 6-amino-8-(2,3-dimethoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
Molecular Weight: | 403.48 |
Molecular Formula: | C23 H25 N5 O2 |
Smiles: | [H]C12CN(CC=C2C(C#N)=C(C(C#N)(C#N)C1c1cccc(c1OC)OC)N)C(C)C |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.5969 |
logD: | 2.5964 |
logSw: | -2.9912 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 91.5 |
InChI Key: | SGWVXSCLSOPNQM-UHFFFAOYSA-N |