2-chloro-5-(5-{[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8008-6518 |
| Compound Name: | 2-chloro-5-(5-{[1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 534.69 |
| Molecular Formula: | C21 H12 Cl I N2 O5 |
| Smiles: | C(=C1/C(NN(C1=O)c1ccc(cc1)I)=O)\c1ccc(c2ccc(c(c2)C(O)=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0736 |
| logD: | 0.6433 |
| logSw: | -4.9752 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.738 |
| InChI Key: | RTMYWHSLMJGXTJ-UHFFFAOYSA-N |