2-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate
Chemical Structure Depiction of
2-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate
2-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 8008-2475 |
| Compound Name: | 2-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate |
| Molecular Weight: | 419.45 |
| Molecular Formula: | C23 H17 N O5 S |
| Smiles: | Cc1ccc(cc1)C1=NC(=C/c2ccccc2OS(c2ccccc2)(=O)=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.4579 |
| logD: | 4.4579 |
| logSw: | -4.5117 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.224 |
| InChI Key: | ZRRQQOVUSLMSJV-UHFFFAOYSA-N |