methyl 4-(4-{[4-(benzoyloxy)-3-methoxyphenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(4-{[4-(benzoyloxy)-3-methoxyphenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
methyl 4-(4-{[4-(benzoyloxy)-3-methoxyphenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 3871-0133 |
| Compound Name: | methyl 4-(4-{[4-(benzoyloxy)-3-methoxyphenyl]methylidene}-3,5-dioxopyrazolidin-1-yl)benzoate |
| Molecular Weight: | 472.45 |
| Molecular Formula: | C26 H20 N2 O7 |
| Smiles: | COC(c1ccc(cc1)N1C(C(=C/c2ccc(c(c2)OC)OC(c2ccccc2)=O)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5072 |
| logD: | 3.424 |
| logSw: | -3.8544 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.029 |
| InChI Key: | VMFZCQTZPJEGPZ-UHFFFAOYSA-N |