ethyl 6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
ethyl 6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Compound characteristics
| Compound ID: | 8003-3653 |
| Compound Name: | ethyl 6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate |
| Molecular Weight: | 441.41 |
| Molecular Formula: | C22 H18 F3 N5 O2 |
| Smiles: | CCOC(N1CC=C2C(C1)C(c1ccccc1C(F)(F)F)C(C#N)(C#N)C(=C2C#N)N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4371 |
| logD: | 3.4369 |
| logSw: | -3.644 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.069 |
| InChI Key: | LPWXPHITUAWWJQ-UHFFFAOYSA-N |