4-{[2-(3-bromo-4-methoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-(3-bromo-4-methoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl acetate
4-{[2-(3-bromo-4-methoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | K088-3078 |
| Compound Name: | 4-{[2-(3-bromo-4-methoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl acetate |
| Molecular Weight: | 446.25 |
| Molecular Formula: | C20 H16 Br N O6 |
| Smiles: | CC(=O)Oc1ccc(/C=C2/C(=O)OC(c3ccc(c(c3)[Br])OC)=N2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4222 |
| logD: | 3.4222 |
| logSw: | -3.6711 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.474 |
| InChI Key: | GGUYBXLXRKNCHF-UHFFFAOYSA-N |