4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-chlorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-chlorobenzene-1-sulfonate
4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-chlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8014-0709 |
| Compound Name: | 4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-chlorobenzene-1-sulfonate |
| Molecular Weight: | 453.9 |
| Molecular Formula: | C23 H16 Cl N O5 S |
| Smiles: | Cc1ccc(cc1)C1=NC(=C\c2ccc(cc2)OS(c2ccc(cc2)[Cl])(=O)=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.2394 |
| logD: | 5.2394 |
| logSw: | -5.9458 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.137 |
| InChI Key: | CUQGWNMBXAILOX-UHFFFAOYSA-N |