methyl 4-{4-[(3,4-dimethoxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{4-[(3,4-dimethoxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
methyl 4-{4-[(3,4-dimethoxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 3871-0113 |
| Compound Name: | methyl 4-{4-[(3,4-dimethoxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate |
| Molecular Weight: | 382.37 |
| Molecular Formula: | C20 H18 N2 O6 |
| Smiles: | COC(c1ccc(cc1)N1C(C(=C/c2ccc(c(c2)OC)OC)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.15 |
| logD: | 2.0667 |
| logSw: | -2.8423 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.195 |
| InChI Key: | ZEIGMPJYHXFANB-UHFFFAOYSA-N |