4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-3-cyclopropyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-3-cyclopropyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate
4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-3-cyclopropyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate
Compound characteristics
Compound ID: | V013-9660 |
Compound Name: | 4-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]phenyl}-3-cyclopropyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl acetate |
Molecular Weight: | 499.5 |
Molecular Formula: | C28 H22 F N3 O5 |
Smiles: | CC(=O)Oc1c(c2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)c(C2CC2)nn1c1cccc(c1)F |
Stereo: | ACHIRAL |
logP: | 5.7715 |
logD: | 5.7715 |
logSw: | -5.5969 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.304 |
InChI Key: | QPLKJKRVUVZGDI-UHFFFAOYSA-N |