4-[2-(2H-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-ylidene]-2-methyl-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[2-(2H-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-ylidene]-2-methyl-1,3-oxazol-5(4H)-one
4-[2-(2H-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-ylidene]-2-methyl-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 7612-0005 |
| Compound Name: | 4-[2-(2H-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-ylidene]-2-methyl-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 347.33 |
| Molecular Formula: | C20 H13 N O5 |
| Smiles: | CC1=NC(=C2\C=C(c3ccc4c(c3)OCO4)Oc3ccccc23)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.9328 |
| logD: | 3.9328 |
| logSw: | -4.0751 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.703 |
| InChI Key: | KLRNHUZIWVCAIQ-UHFFFAOYSA-N |