3-[5-({1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)furan-2-yl]benzoic acid
Chemical Structure Depiction of
3-[5-({1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)furan-2-yl]benzoic acid
3-[5-({1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)furan-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 3871-0151 |
| Compound Name: | 3-[5-({1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)furan-2-yl]benzoic acid |
| Molecular Weight: | 432.39 |
| Molecular Formula: | C23 H16 N2 O7 |
| Smiles: | COC(c1ccc(cc1)N1C(C(=C/c2ccc(c3cccc(c3)C(O)=O)o2)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5296 |
| logD: | 0.0169 |
| logSw: | -3.6918 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.912 |
| InChI Key: | UHFDGGPGNAZCMW-UHFFFAOYSA-N |