4-{6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}benzonitrile
Chemical Structure Depiction of
4-{6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}benzonitrile
4-{6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}benzonitrile
Compound characteristics
| Compound ID: | V003-1652 |
| Compound Name: | 4-{6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}benzonitrile |
| Molecular Weight: | 364.32 |
| Molecular Formula: | C21 H11 F3 N2 O |
| Smiles: | C(c1ccc(cc1)c1nc2ccc(cc2o1)c1ccc(cc1)C(F)(F)F)#N |
| Stereo: | ACHIRAL |
| logP: | 6.0383 |
| logD: | 6.0383 |
| logSw: | -6.3125 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 33.833 |
| InChI Key: | BPCSKFSVIPHDLQ-UHFFFAOYSA-N |