2-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate
Chemical Structure Depiction of
2-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate
2-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 8007-5516 |
| Compound Name: | 2-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzenesulfonate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C26 H23 N O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=NC(=C/c2ccccc2OS(c2ccccc2)(=O)=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.829 |
| logD: | 5.829 |
| logSw: | -5.713 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.224 |
| InChI Key: | RJGQFSGGAHXLAT-UHFFFAOYSA-N |