4-(5-{[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 4169-2502 |
| Compound Name: | 4-(5-{[1-(3-chloro-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(c(c1)[Cl])F)=O)\c1ccc(c2ccc(cc2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.1288 |
| logD: | 0.401 |
| logSw: | -4.3539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.738 |
| InChI Key: | UIDUKNQMKWGBON-GDNBJRDFSA-N |