4-{[2-(3,4-dimethylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-iodo-6-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-(3,4-dimethylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-iodo-6-methoxyphenyl acetate
4-{[2-(3,4-dimethylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-iodo-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 2165-0888 |
| Compound Name: | 4-{[2-(3,4-dimethylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-iodo-6-methoxyphenyl acetate |
| Molecular Weight: | 491.28 |
| Molecular Formula: | C21 H18 I N O5 |
| Smiles: | CC(=O)Oc1c(cc(/C=C2/C(=O)OC(c3ccc(C)c(C)c3)=N2)cc1I)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6397 |
| logD: | 4.6397 |
| logSw: | -4.5846 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.93 |
| InChI Key: | ZLKIZVSUFDGYEI-UHFFFAOYSA-N |