6-amino-2-benzyl-8-[2-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-2-benzyl-8-[2-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
6-amino-2-benzyl-8-[2-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8001-5668 |
| Compound Name: | 6-amino-2-benzyl-8-[2-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile |
| Molecular Weight: | 459.47 |
| Molecular Formula: | C26 H20 F3 N5 |
| Smiles: | C1C=C2C(CN1Cc1ccccc1)C(c1ccccc1C(F)(F)F)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3386 |
| logD: | 4.3383 |
| logSw: | -4.6225 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.829 |
| InChI Key: | YNUFZUOVLAFMFA-UHFFFAOYSA-N |