4-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
4-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8007-6890 |
| Compound Name: | 4-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 475.56 |
| Molecular Formula: | C27 H25 N O5 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(/C=C2/C(=O)OC(c3ccc(cc3)C(C)(C)C)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4391 |
| logD: | 6.4391 |
| logSw: | -5.7892 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.137 |
| InChI Key: | WHPUXEFIGWJWER-UHFFFAOYSA-N |