4-bromo-2-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate
Chemical Structure Depiction of
4-bromo-2-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate
4-bromo-2-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 8014-0692 |
| Compound Name: | 4-bromo-2-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate |
| Molecular Weight: | 498.35 |
| Molecular Formula: | C23 H16 Br N O5 S |
| Smiles: | Cc1ccc(cc1)C1=NC(=C\c2cc(ccc2OS(c2ccccc2)(=O)=O)[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.1972 |
| logD: | 5.1972 |
| logSw: | -5.1538 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.224 |
| InChI Key: | LCXXWCGWRXNOQK-UHFFFAOYSA-N |