2-(5-methyl-2-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(5-methyl-2-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(5-methyl-2-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2192-1383 |
| Compound Name: | 2-(5-methyl-2-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 354.38 |
| Molecular Formula: | C18 H14 N2 O4 S |
| Smiles: | Cc1ccc(c(c1)C1=NC(=C/c2ccc(cc2)SC)\C(=O)O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0348 |
| logD: | 4.0348 |
| logSw: | -4.2686 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.456 |
| InChI Key: | HPAUZJXHBCBUBV-UHFFFAOYSA-N |