2-(2-methyl-3-nitrophenyl)-4-[(3-methylthiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-methyl-3-nitrophenyl)-4-[(3-methylthiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one
2-(2-methyl-3-nitrophenyl)-4-[(3-methylthiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1561 |
| Compound Name: | 2-(2-methyl-3-nitrophenyl)-4-[(3-methylthiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 328.34 |
| Molecular Formula: | C16 H12 N2 O4 S |
| Smiles: | Cc1ccsc1/C=C1/C(=O)OC(c2cccc(c2C)[N+]([O-])=O)=N1 |
| Stereo: | ACHIRAL |
| logP: | 3.6775 |
| logD: | 3.6775 |
| logSw: | -4.1782 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.475 |
| InChI Key: | DKQNIKQGHJPBMW-UHFFFAOYSA-N |