4-methyl-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-methyl-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-methyl-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-2585 |
| Compound Name: | 4-methyl-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 447.43 |
| Molecular Formula: | C22 H16 F3 N O4 S |
| Smiles: | Cc1ccc(c(c1)c1nc2c(C)cccc2o1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.975 |
| logD: | 5.975 |
| logSw: | -5.8273 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.667 |
| InChI Key: | HMBRRHXAVWRRLT-UHFFFAOYSA-N |