4-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-6553 |
| Compound Name: | 4-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 297.27 |
| Molecular Formula: | C15 H11 N3 O4 |
| Smiles: | Cn1cccc1\C=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1 |
| Stereo: | ACHIRAL |
| logP: | 2.7708 |
| logD: | 2.7708 |
| logSw: | -3.2189 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.655 |
| InChI Key: | SFAACTLAKGBNSE-UHFFFAOYSA-N |