4-{[4-(methylsulfanyl)phenyl]methylidene}-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-{[4-(methylsulfanyl)phenyl]methylidene}-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-{[4-(methylsulfanyl)phenyl]methylidene}-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-6684 |
| Compound Name: | 4-{[4-(methylsulfanyl)phenyl]methylidene}-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 340.36 |
| Molecular Formula: | C17 H12 N2 O4 S |
| Smiles: | CSc1ccc(\C=C2/C(=O)OC(c3ccc(cc3)[N+]([O-])=O)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9429 |
| logD: | 3.9429 |
| logSw: | -4.1564 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.757 |
| InChI Key: | FCNKGOSRPFICSU-UHFFFAOYSA-N |