4-(5-{[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
4-(5-{[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
Compound ID: | 4169-2496 |
Compound Name: | 4-(5-{[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid |
Molecular Weight: | 408.8 |
Molecular Formula: | C21 H13 Cl N2 O5 |
Smiles: | C(=C1/C(NN(C1=O)c1cccc(c1)[Cl])=O)\c1ccc(c2ccc(cc2)C(O)=O)o1 |
Stereo: | ACHIRAL |
logP: | 4.1735 |
logD: | 0.4457 |
logSw: | -4.3836 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.738 |
InChI Key: | QOWLZLZIAIZDDP-UHFFFAOYSA-N |