3-[5-({1-[4-(ethoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)furan-2-yl]benzoic acid
Chemical Structure Depiction of
3-[5-({1-[4-(ethoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)furan-2-yl]benzoic acid
3-[5-({1-[4-(ethoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)furan-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 5396-0221 |
| Compound Name: | 3-[5-({1-[4-(ethoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)furan-2-yl]benzoic acid |
| Molecular Weight: | 446.42 |
| Molecular Formula: | C24 H18 N2 O7 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(=C/c2ccc(c3cccc(c3)C(O)=O)o2)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0402 |
| logD: | 0.5276 |
| logSw: | -4.055 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.492 |
| InChI Key: | PUASOJJDIPBYFV-UHFFFAOYSA-N |