4-{[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2-phenylene diacetate
Chemical Structure Depiction of
4-{[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2-phenylene diacetate
4-{[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2-phenylene diacetate
Compound characteristics
| Compound ID: | 2165-0940 |
| Compound Name: | 4-{[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2-phenylene diacetate |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C21 H17 N O6 |
| Smiles: | CC(=O)Oc1ccc(/C=C2/C(=O)OC(c3cccc(C)c3)=N2)cc1OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2195 |
| logD: | 3.2195 |
| logSw: | -3.3684 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.051 |
| InChI Key: | HTHDFAHHPMCYDH-UHFFFAOYSA-N |