2-(2-chloro-4-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-chloro-4-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(2-chloro-4-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0229 |
| Compound Name: | 2-(2-chloro-4-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 374.8 |
| Molecular Formula: | C17 H11 Cl N2 O4 S |
| Smiles: | CSc1ccc(/C=C2/C(=O)OC(c3ccc(cc3[Cl])[N+]([O-])=O)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4512 |
| logD: | 4.4512 |
| logSw: | -4.8462 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.757 |
| InChI Key: | RSVJQFLPGWHMHA-UHFFFAOYSA-N |