4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8007-7551 |
| Compound Name: | 4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C24 H19 N O5 S |
| Smiles: | Cc1ccc(cc1)C1=NC(=C/c2ccc(cc2)OS(c2ccc(C)cc2)(=O)=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.0681 |
| logD: | 5.0681 |
| logSw: | -4.7486 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.137 |
| InChI Key: | ZFVOTUARAQTNBB-UHFFFAOYSA-N |