2-chloro-5-(5-{[1-(4-ethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{[1-(4-ethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[1-(4-ethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 2817-4584 |
| Compound Name: | 2-chloro-5-(5-{[1-(4-ethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 434.88 |
| Molecular Formula: | C24 H19 Cl N2 O4 |
| Smiles: | CCc1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(c(c3)C(O)=O)[Cl])o2)\C(C)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9204 |
| logD: | 1.4901 |
| logSw: | -5.6921 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.565 |
| InChI Key: | QLWAMXOJWOAAGL-UHFFFAOYSA-N |