2-(4-tert-butylphenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(4-tert-butylphenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-4110 |
| Compound Name: | 2-(4-tert-butylphenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C21 H21 N O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=NC(=C/c2ccc(cc2)SC)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.8117 |
| logD: | 5.8117 |
| logSw: | -5.6504 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.3756 |
| InChI Key: | SLQXVBOSKDWFGG-UHFFFAOYSA-N |