2-(2-chloro-4-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-chloro-4-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(2-chloro-4-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0213 |
| Compound Name: | 2-(2-chloro-4-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 418.79 |
| Molecular Formula: | C19 H15 Cl N2 O7 |
| Smiles: | COc1cc(/C=C2/C(=O)OC(c3ccc(cc3[Cl])[N+]([O-])=O)=N2)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4809 |
| logD: | 3.4809 |
| logSw: | -4.1192 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.735 |
| InChI Key: | LGTBFXIEIUAGHH-UHFFFAOYSA-N |