2-bromo-4-{[2-(3,4-dimethylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
Chemical Structure Depiction of
2-bromo-4-{[2-(3,4-dimethylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
2-bromo-4-{[2-(3,4-dimethylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 2165-0867 |
| Compound Name: | 2-bromo-4-{[2-(3,4-dimethylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate |
| Molecular Weight: | 444.28 |
| Molecular Formula: | C21 H18 Br N O5 |
| Smiles: | CC(=O)Oc1c(cc(/C=C2/C(=O)OC(c3ccc(C)c(C)c3)=N2)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 4.4042 |
| logD: | 4.4042 |
| logSw: | -4.4373 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.93 |
| InChI Key: | DXIHBQNVMHWMKJ-UHFFFAOYSA-N |