4-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-iodo-6-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-iodo-6-methoxyphenyl acetate
4-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-iodo-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 2125-0666 |
| Compound Name: | 4-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-iodo-6-methoxyphenyl acetate |
| Molecular Weight: | 519.33 |
| Molecular Formula: | C23 H22 I N O5 |
| Smiles: | CC(=O)Oc1c(cc(\C=C2/C(=O)OC(c3ccc(cc3)C(C)(C)C)=N2)cc1I)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4741 |
| logD: | 5.4741 |
| logSw: | -5.5428 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.93 |
| InChI Key: | MWXKTSMTTSUOID-UHFFFAOYSA-N |