ethyl (4-{[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate
Chemical Structure Depiction of
ethyl (4-{[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate
ethyl (4-{[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate
Compound characteristics
| Compound ID: | 2237-1800 |
| Compound Name: | ethyl (4-{[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate |
| Molecular Weight: | 522.29 |
| Molecular Formula: | C21 H19 I N2 O6 |
| Smiles: | CCOC(COc1ccc(/C=C2/C(NN(C2=O)c2ccc(cc2)I)=O)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1116 |
| logD: | 3.0329 |
| logSw: | -3.3216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.135 |
| InChI Key: | LLKXQHBUPFFKEA-UHFFFAOYSA-N |