N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]propanamide
Compound characteristics
Compound ID: | F368-0052 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]propanamide |
Molecular Weight: | 439.51 |
Molecular Formula: | C27 H25 N3 O3 |
Smiles: | Cc1ccc(cc1)c1c(CCC(NCc2ccc3c(c2)OCO3)=O)cn(c2ccccc2)n1 |
Stereo: | ACHIRAL |
logP: | 4.9078 |
logD: | 4.9078 |
logSw: | -4.4922 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.186 |
InChI Key: | KMCVEDRKIIRWNJ-UHFFFAOYSA-N |