4-{[2-(2H-1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-(2H-1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl acetate
4-{[2-(2H-1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl acetate
Compound characteristics
| Compound ID: | 8002-9859 |
| Compound Name: | 4-{[2-(2H-1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl acetate |
| Molecular Weight: | 395.37 |
| Molecular Formula: | C21 H17 N O7 |
| Smiles: | CCOc1cc(/C=C2/C(=O)OC(c3ccc4c(c3)OCO4)=N2)ccc1OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8522 |
| logD: | 2.8522 |
| logSw: | -3.1349 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.539 |
| InChI Key: | WKQQNBBZGPSAEF-UHFFFAOYSA-N |