1-(3-methylphenyl)-3-(2-methylpropyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
1-(3-methylphenyl)-3-(2-methylpropyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate
1-(3-methylphenyl)-3-(2-methylpropyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate
Compound characteristics
Compound ID: | V012-2899 |
Compound Name: | 1-(3-methylphenyl)-3-(2-methylpropyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate |
Molecular Weight: | 535.57 |
Molecular Formula: | C30 H28 F3 N3 O3 |
Smiles: | CC(C)Cc1c(c2ccc(cc2)NC(c2ccc(cc2)C(F)(F)F)=O)c(n(c2cccc(C)c2)n1)OC(C)=O |
Stereo: | ACHIRAL |
logP: | 7.3761 |
logD: | 7.376 |
logSw: | -5.6463 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.432 |
InChI Key: | SDKFDVJKUVCQDQ-UHFFFAOYSA-N |