2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-0334 |
| Compound Name: | 2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 467.85 |
| Molecular Formula: | C21 H13 Cl F3 N O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)c1nc2cc(ccc2o1)[Cl])OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0112 |
| logD: | 6.0112 |
| logSw: | -6.3262 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.897 |
| InChI Key: | SUUNSSFWNGNVOK-UHFFFAOYSA-N |