4-[(2-nitrophenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-nitrophenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2-nitrophenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-0821 |
| Compound Name: | 4-[(2-nitrophenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 384.34 |
| Molecular Formula: | C19 H16 N2 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)C1=NC(=C\c2ccccc2[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.7308 |
| logD: | 2.7308 |
| logSw: | -3.4296 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.434 |
| InChI Key: | MUROLDQQFCVVJS-UHFFFAOYSA-N |