3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-yl phenylmethanesulfonate
Chemical Structure Depiction of
3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-yl phenylmethanesulfonate
3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-yl phenylmethanesulfonate
Compound characteristics
| Compound ID: | Y041-5502 |
| Compound Name: | 3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-yl phenylmethanesulfonate |
| Molecular Weight: | 419.38 |
| Molecular Formula: | C20 H12 F3 N O4 S |
| Smiles: | C(c1ccccc1)S(=O)(=O)Oc1ccc2c(c3cc(c(c(c3)F)F)F)noc2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8657 |
| logD: | 4.8657 |
| logSw: | -5.0357 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.003 |
| InChI Key: | BCFVYYZFGHCLCS-UHFFFAOYSA-N |