2-chloro-5-(5-{[1-(4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{[1-(4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[1-(4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 2082-0158 |
| Compound Name: | 2-chloro-5-(5-{[1-(4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 422.82 |
| Molecular Formula: | C22 H15 Cl N2 O5 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(c(c3)C(O)=O)[Cl])o2)\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2864 |
| logD: | -0.1439 |
| logSw: | -4.3736 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.738 |
| InChI Key: | OAASFLBFRZAVEU-UHFFFAOYSA-N |