1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate
Compound characteristics
Compound ID: | V002-4219 |
Compound Name: | 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate |
Molecular Weight: | 587.57 |
Molecular Formula: | C33 H25 F4 N3 O3 |
Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(c2ccc(cc2)C(F)(F)F)=O)c(c2ccccc2F)nn1c1ccc(C)cc1C |
Stereo: | ACHIRAL |
logP: | 8.0975 |
logD: | 8.0974 |
logSw: | -5.748 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.364 |
InChI Key: | SUDHPQNDOYRKIQ-UHFFFAOYSA-N |