6-amino-2-ethyl-8-[2-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-ethyl-8-[2-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-ethyl-8-[2-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8004-9555 |
| Compound Name: | 6-amino-2-ethyl-8-[2-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 397.4 |
| Molecular Formula: | C21 H18 F3 N5 |
| Smiles: | CCN1CC=C2C(C1)C(c1ccccc1C(F)(F)F)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1875 |
| logD: | 3.1872 |
| logSw: | -3.5049 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.825 |
| InChI Key: | ZDYAIAYAGVDPCR-UHFFFAOYSA-N |