rel-(4R,4aS)-2-amino-4-[2-(trifluoromethyl)phenyl]-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Chemical Structure Depiction of
rel-(4R,4aS)-2-amino-4-[2-(trifluoromethyl)phenyl]-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
rel-(4R,4aS)-2-amino-4-[2-(trifluoromethyl)phenyl]-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8003-3651 |
| Compound Name: | rel-(4R,4aS)-2-amino-4-[2-(trifluoromethyl)phenyl]-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile |
| Molecular Weight: | 368.36 |
| Molecular Formula: | C20 H15 F3 N4 |
| Smiles: | [H][C@@]12CCCC=C1C(C#N)=C(C(C#N)(C#N)[C@H]2c1ccccc1C(F)(F)F)N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9392 |
| logD: | 3.939 |
| logSw: | -4.4486 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.355 |
| InChI Key: | XCXFQVRCVFHXAL-CXAGYDPISA-N |