2-methoxy-5-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
2-methoxy-5-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8014-0701 |
| Compound Name: | 2-methoxy-5-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C25 H21 N O6 S |
| Smiles: | Cc1ccc(cc1)C1=NC(=C\c2ccc(c(c2)OS(c2ccc(C)cc2)(=O)=O)OC)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.8305 |
| logD: | 4.8305 |
| logSw: | -4.7856 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.854 |
| InChI Key: | IIZLFGXNOIJTAA-UHFFFAOYSA-N |