2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 2-(trifluoromethoxy)benzene-1-sulfonate
Chemical Structure Depiction of
2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 2-(trifluoromethoxy)benzene-1-sulfonate
2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 2-(trifluoromethoxy)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-6996 |
| Compound Name: | 2-chloro-4-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 2-(trifluoromethoxy)benzene-1-sulfonate |
| Molecular Weight: | 561.94 |
| Molecular Formula: | C22 H15 Cl F3 N O7 S2 |
| Salt: | not_available |
| Smiles: | CCS(c1ccc2c(c1)nc(c1ccc(c(c1)[Cl])OS(c1ccccc1OC(F)(F)F)(=O)=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9785 |
| logD: | 4.9785 |
| logSw: | -5.3015 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.956 |
| InChI Key: | OBTSLAXARRGHOE-UHFFFAOYSA-N |