6-amino-2-propyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-propyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-propyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
Compound ID: | 3132-0719 |
Compound Name: | 6-amino-2-propyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
Molecular Weight: | 344.42 |
Molecular Formula: | C20 H20 N6 |
Smiles: | [H]C12CN(CCC)CC=C2C(C#N)=C(C(C#N)(C#N)C1c1cccnc1)N |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.6021 |
logD: | 1.6018 |
logSw: | -1.271 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.597 |
InChI Key: | HMHOHNATOAWTIG-UHFFFAOYSA-N |