2-chloro-5-{4-[(4-fluorophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{4-[(4-fluorophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
2-chloro-5-{4-[(4-fluorophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
Compound ID: | 8009-4062 |
Compound Name: | 2-chloro-5-{4-[(4-fluorophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
Molecular Weight: | 358.75 |
Molecular Formula: | C18 H12 Cl F N2 O3 |
Smiles: | CC1/C(=C\c2ccc(cc2)F)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
Stereo: | ACHIRAL |
logP: | 3.7996 |
logD: | -0.0035 |
logSw: | -4.0206 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.995 |
InChI Key: | UPBYBQPTOWSEFO-UHFFFAOYSA-N |