2-chloro-5-[5-({1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)furan-2-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[5-({1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)furan-2-yl]benzoic acid
2-chloro-5-[5-({1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)furan-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 3871-0146 |
| Compound Name: | 2-chloro-5-[5-({1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl)furan-2-yl]benzoic acid |
| Molecular Weight: | 466.83 |
| Molecular Formula: | C23 H15 Cl N2 O7 |
| Smiles: | COC(c1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(c(c3)C(O)=O)[Cl])o2)\C(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9538 |
| logD: | -0.4765 |
| logSw: | -4.2328 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.912 |
| InChI Key: | KOWFRUBMSHYORP-UHFFFAOYSA-N |