4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 8006-1856 |
| Compound Name: | 4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 386.75 |
| Molecular Formula: | C18 H11 Cl N2 O6 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C1=NC(=C/c2cc3c(cc2[Cl])OCO3)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.0377 |
| logD: | 4.0377 |
| logSw: | -4.5801 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.572 |
| InChI Key: | CEYUDAIGIAFLLM-UHFFFAOYSA-N |