2-chloro-5-[4-({1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[4-({1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
2-chloro-5-[4-({1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 8009-4064 |
| Compound Name: | 2-chloro-5-[4-({1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 565.84 |
| Molecular Formula: | C28 H19 Cl3 N4 O3 |
| Smiles: | CC1/C(=C\c2cn(Cc3ccc(cc3[Cl])[Cl])nc2c2ccccc2)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3802 |
| logD: | 2.5771 |
| logSw: | -5.7861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.776 |
| InChI Key: | ZGPUBBVIXNMZPO-UHFFFAOYSA-N |