3-{[2-(2H-1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
3-{[2-(2H-1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
3-{[2-(2H-1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 2062-0816 |
| Compound Name: | 3-{[2-(2H-1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 351.31 |
| Molecular Formula: | C19 H13 N O6 |
| Smiles: | CC(=O)Oc1cccc(/C=C2/C(=O)OC(c3ccc4c(c3)OCO4)=N2)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5625 |
| logD: | 2.5625 |
| logSw: | -2.8721 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.242 |
| InChI Key: | LLPJSSNZUJCPLY-UHFFFAOYSA-N |