2-bromo-4-{[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
Chemical Structure Depiction of
2-bromo-4-{[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
2-bromo-4-{[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 2165-0976 |
| Compound Name: | 2-bromo-4-{[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate |
| Molecular Weight: | 488.33 |
| Molecular Formula: | C23 H22 Br N O6 |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C/c2cc(c(c(c2)[Br])OC(C)=O)OC)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.8764 |
| logD: | 4.8764 |
| logSw: | -4.7114 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.348 |
| InChI Key: | NJAVOVOFGYGFEO-UHFFFAOYSA-N |