4-{[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate
Chemical Structure Depiction of
4-{[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate
4-{[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate
Compound characteristics
| Compound ID: | 2237-1606 |
| Compound Name: | 4-{[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate |
| Molecular Weight: | 492.27 |
| Molecular Formula: | C20 H17 I N2 O5 |
| Smiles: | CCC(=O)Oc1ccc(/C=C2/C(NN(C2=O)c2ccc(cc2)I)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7172 |
| logD: | 3.6385 |
| logSw: | -4.1044 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.531 |
| InChI Key: | ZUEHXDOEWVTWGV-UHFFFAOYSA-N |