3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (4-fluorophenyl)acetate
Chemical Structure Depiction of
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (4-fluorophenyl)acetate
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (4-fluorophenyl)acetate
Compound characteristics
Compound ID: | C263-0314 |
Compound Name: | 3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl (4-fluorophenyl)acetate |
Molecular Weight: | 464.51 |
Molecular Formula: | C25 H21 F N2 O4 S |
Smiles: | Cc1ccc(cc1)S(c1c(C)nn(c2ccccc2)c1OC(Cc1ccc(cc1)F)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.586 |
logD: | 4.586 |
logSw: | -4.5461 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 63.456 |
InChI Key: | MQDYXUXVYFLICK-UHFFFAOYSA-N |