4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2062-0297 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 372.72 |
| Molecular Formula: | C17 H9 Cl N2 O6 |
| Smiles: | C1Oc2ccc(/C=C3/C(=O)OC(c4ccc(c(c4)[N+]([O-])=O)[Cl])=N3)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.384 |
| logD: | 3.384 |
| logSw: | -4.0881 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.572 |
| InChI Key: | DDKYUNREFOARCX-UHFFFAOYSA-N |