2-chloro-5-(5-{[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8008-6512 |
| Compound Name: | 2-chloro-5-(5-{[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 426.79 |
| Molecular Formula: | C21 H12 Cl F N2 O5 |
| Smiles: | C(=C1/C(NN(C1=O)c1ccc(cc1)F)=O)\c1ccc(c2ccc(c(c2)C(O)=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 3.8921 |
| logD: | -0.5382 |
| logSw: | -4.253 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.738 |
| InChI Key: | CQLKMZCZYWHROC-UHFFFAOYSA-N |