methyl 4-(4-{[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(4-{[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
methyl 4-(4-{[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 3871-0119 |
| Compound Name: | methyl 4-(4-{[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate |
| Molecular Weight: | 454.44 |
| Molecular Formula: | C23 H22 N2 O8 |
| Smiles: | CCOC(COc1ccc(/C=C2/C(NN(C2=O)c2ccc(cc2)C(=O)OC)=O)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9917 |
| logD: | 1.9085 |
| logSw: | -2.5264 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.309 |
| InChI Key: | MIBPMEVYJBKNKV-UHFFFAOYSA-N |