2-(2H-1,3-benzodioxol-5-yl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(2H-1,3-benzodioxol-5-yl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 8005-6238 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 307.3 |
| Molecular Formula: | C18 H13 N O4 |
| Smiles: | Cc1cccc(/C=C2/C(=O)OC(c3ccc4c(c3)OCO4)=N2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6686 |
| logD: | 3.6686 |
| logSw: | -3.9008 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.491 |
| InChI Key: | NUFPTZKJLOUZSL-UHFFFAOYSA-N |