3-(5-{[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
3-(5-{[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
3-(5-{[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 4357-3120 |
| Compound Name: | 3-(5-{[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 443.24 |
| Molecular Formula: | C21 H12 Cl2 N2 O5 |
| Smiles: | C(=C1/C(NN(C1=O)c1ccc(c(c1)[Cl])[Cl])=O)\c1ccc(c2cccc(c2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.8137 |
| logD: | 1.301 |
| logSw: | -4.5552 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.738 |
| InChI Key: | IHYWLSDTYNUGHP-UHFFFAOYSA-N |