4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-3-ethyl-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-3-ethyl-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-3-ethyl-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
Compound ID: | V016-8993 |
Compound Name: | 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-3-ethyl-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate |
Molecular Weight: | 483.52 |
Molecular Formula: | C28 H25 N3 O5 |
Smiles: | CCc1c(c2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)c(n(c2ccc(C)cc2)n1)OC(C)=O |
Stereo: | ACHIRAL |
logP: | 5.487 |
logD: | 5.487 |
logSw: | -5.4727 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.547 |
InChI Key: | RYMPDSWXVUMDLK-UHFFFAOYSA-N |