N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
Compound ID: | Y200-4239 |
Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide |
Molecular Weight: | 401.82 |
Molecular Formula: | C20 H17 Cl F N3 O3 |
Smiles: | Cc1c(c(C)n(Cc2c(cccc2[Cl])F)n1)NC(c1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 3.0807 |
logD: | 3.0804 |
logSw: | -3.5389 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.331 |
InChI Key: | KTQWWMAHNBOVET-UHFFFAOYSA-N |