3-{[2-(4-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
3-{[2-(4-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
3-{[2-(4-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | K088-0057 |
| Compound Name: | 3-{[2-(4-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C22 H21 N O4 |
| Smiles: | CCCCc1ccc(cc1)C1=NC(=C/c2cccc(c2)OC(C)=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.6351 |
| logD: | 4.6351 |
| logSw: | -4.5653 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.127 |
| InChI Key: | JOVGZBDIBYRQEO-UHFFFAOYSA-N |