4-(5-{[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 4169-2501 |
| Compound Name: | 4-(5-{[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 392.34 |
| Molecular Formula: | C21 H13 F N2 O5 |
| Smiles: | C(=C1/C(NN(C1=O)c1ccc(cc1)F)=O)\c1ccc(c2ccc(cc2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.5272 |
| logD: | -0.2006 |
| logSw: | -3.7344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.738 |
| InChI Key: | NZOHJUYQDXCWQH-UHFFFAOYSA-N |