2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 4-fluorobenzene-1-sulfonate
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-9757 |
| Compound Name: | 2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]-4-methylphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 475.51 |
| Molecular Formula: | C22 H18 F N O6 S2 |
| Salt: | not_available |
| Smiles: | CCS(c1ccc2c(c1)nc(c1cc(C)ccc1OS(c1ccc(cc1)F)(=O)=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.969 |
| logD: | 3.969 |
| logSw: | -4.1353 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.933 |
| InChI Key: | BVIHAGJHSGOQPL-UHFFFAOYSA-N |