6-amino-2-ethyl-8-(pyridin-4-yl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-ethyl-8-(pyridin-4-yl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile
6-amino-2-ethyl-8-(pyridin-4-yl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | Y508-0984 |
| Compound Name: | 6-amino-2-ethyl-8-(pyridin-4-yl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile |
| Molecular Weight: | 330.39 |
| Molecular Formula: | C19 H18 N6 |
| Smiles: | CCN1CC=C2C(C1)C(C(C#N)=C(C2(C#N)C#N)N)c1ccncc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1354 |
| logD: | 1.1318 |
| logSw: | -1.3954 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.254 |
| InChI Key: | HJQSNRQIRXLQIX-UHFFFAOYSA-N |