4-[(3-methylthiophen-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-methylthiophen-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(3-methylthiophen-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-6603 |
| Compound Name: | 4-[(3-methylthiophen-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 314.32 |
| Molecular Formula: | C15 H10 N2 O4 S |
| Smiles: | Cc1ccsc1\C=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1 |
| Stereo: | ACHIRAL |
| logP: | 3.4208 |
| logD: | 3.4208 |
| logSw: | -3.8263 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.775 |
| InChI Key: | YMWDGWRTCCNRFL-UHFFFAOYSA-N |