2-chloro-5-(5-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8008-6524 |
| Compound Name: | 2-chloro-5-(5-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 436.85 |
| Molecular Formula: | C23 H17 Cl N2 O5 |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C/c2ccc(c3ccc(c(c3)C(O)=O)[Cl])o2)\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0314 |
| logD: | 0.6011 |
| logSw: | -4.8973 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.738 |
| InChI Key: | LPXDURNSEICMKK-UHFFFAOYSA-N |