2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-9733 |
| Compound Name: | 2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 525.52 |
| Molecular Formula: | C23 H18 F3 N O6 S2 |
| Salt: | not_available |
| Smiles: | CCS(c1ccc2c(c1)nc(c1cc(C)ccc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6212 |
| logD: | 4.6212 |
| logSw: | -4.5574 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.933 |
| InChI Key: | RULWTMLSSWRFMH-UHFFFAOYSA-N |