3-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-chlorobenzamido)phenyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-chlorobenzamido)phenyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
3-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-chlorobenzamido)phenyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
Compound ID: | V017-2674 |
Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-chlorobenzamido)phenyl]-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate |
Molecular Weight: | 566.01 |
Molecular Formula: | C32 H24 Cl N3 O5 |
Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(c2ccccc2[Cl])=O)c(c2ccc3c(c2)OCO3)nn1c1ccc(C)cc1 |
Stereo: | ACHIRAL |
logP: | 6.9783 |
logD: | 6.9779 |
logSw: | -6.318 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.781 |
InChI Key: | VPECMWXURVBMOM-UHFFFAOYSA-N |