2-(4-methyl-3-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(4-methyl-3-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2125-0484 |
| Compound Name: | 2-(4-methyl-3-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(cc1[N+]([O-])=O)C1=NC(=C\c2ccc(cc2)SC)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.3396 |
| logD: | 4.3396 |
| logSw: | -4.5147 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.456 |
| InChI Key: | HOLKUWQEJSTBEX-UHFFFAOYSA-N |