2-(2H-1,3-benzodioxol-4-yl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-4-yl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
2-(2H-1,3-benzodioxol-4-yl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
Compound characteristics
| Compound ID: | V031-1042 |
| Compound Name: | 2-(2H-1,3-benzodioxol-4-yl)-6-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole |
| Molecular Weight: | 383.32 |
| Molecular Formula: | C21 H12 F3 N O3 |
| Salt: | not_available |
| Smiles: | C1Oc2cccc(c2O1)c1nc2ccc(cc2o1)c1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.1693 |
| logD: | 6.1693 |
| logSw: | -6.3256 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.577 |
| InChI Key: | XFADJPDRWNBAJI-UHFFFAOYSA-N |