4-[(2-chlorophenyl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-chlorophenyl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(2-chlorophenyl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2113-0151 |
| Compound Name: | 4-[(2-chlorophenyl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 358.74 |
| Molecular Formula: | C17 H11 Cl N2 O5 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C1=NC(=C/c2ccccc2[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.3121 |
| logD: | 3.3121 |
| logSw: | -4.014 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.087 |
| InChI Key: | KQOIPPKXCGYBSB-UHFFFAOYSA-N |