2-bromo-4-{[2-(4-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
Chemical Structure Depiction of
2-bromo-4-{[2-(4-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
2-bromo-4-{[2-(4-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | K088-0049 |
| Compound Name: | 2-bromo-4-{[2-(4-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate |
| Molecular Weight: | 472.33 |
| Molecular Formula: | C23 H22 Br N O5 |
| Smiles: | CCCCc1ccc(cc1)C1=NC(=C\c2cc(c(c(c2)[Br])OC(C)=O)OC)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.4134 |
| logD: | 5.4134 |
| logSw: | -5.3837 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.93 |
| InChI Key: | AJKAWXPJAWULPZ-UHFFFAOYSA-N |