2-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
2-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3268-0036 |
| Compound Name: | 2-{[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)Oc1ccccc1/C=C1/C(=O)OC(c2ccc(cc2)C(C)(C)C)=N1 |
| Stereo: | ACHIRAL |
| logP: | 6.4374 |
| logD: | 6.4374 |
| logSw: | -5.8894 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.224 |
| InChI Key: | TVNMTYNZCZSNRA-UHFFFAOYSA-N |