2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-methylbenzene-1-sulfonate
2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-7528 |
| Compound Name: | 2-[5-(ethanesulfonyl)-1,3-benzoxazol-2-yl]phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 457.52 |
| Molecular Formula: | C22 H19 N O6 S2 |
| Salt: | not_available |
| Smiles: | CCS(c1ccc2c(c1)nc(c1ccccc1OS(c1ccc(C)cc1)(=O)=O)o2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.927 |
| logD: | 3.927 |
| logSw: | -3.9602 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.933 |
| InChI Key: | SQVKWQDEMCGSNF-UHFFFAOYSA-N |