4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(5-chloro-2-methoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(5-chloro-2-methoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(5-chloro-2-methoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2125-0562 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(5-chloro-2-methoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 357.75 |
| Molecular Formula: | C18 H12 Cl N O5 |
| Smiles: | COc1ccc(cc1C1=NC(=C/c2ccc3c(c2)OCO3)\C(=O)O1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6375 |
| logD: | 3.6375 |
| logSw: | -4.2956 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.121 |
| InChI Key: | CRNCZWZKXFRDFL-MLPAPPSSSA-N |