2-[2-(3-nitrophenyl)ethenyl]-4-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-[2-(3-nitrophenyl)ethenyl]-4-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
2-[2-(3-nitrophenyl)ethenyl]-4-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1035 |
| Compound Name: | 2-[2-(3-nitrophenyl)ethenyl]-4-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 410.38 |
| Molecular Formula: | C21 H18 N2 O7 |
| Smiles: | COc1ccc(/C=C2/C(=O)OC(/C=C/c3cccc(c3)[N+]([O-])=O)=N2)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8061 |
| logD: | 3.8061 |
| logSw: | -4.2503 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.968 |
| InChI Key: | CKWVSBFSSHWIDB-UHFFFAOYSA-N |