1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(3,4-dimethylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(3,4-dimethylphenoxy)ethan-1-one
1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(3,4-dimethylphenoxy)ethan-1-one
Compound characteristics
Compound ID: | SD73-0564 |
Compound Name: | 1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(3,4-dimethylphenoxy)ethan-1-one |
Molecular Weight: | 418.54 |
Molecular Formula: | C25 H30 N4 O2 |
Smiles: | Cc1ccc(cc1C)OCC(N1CCCC1CCc1nncn1Cc1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7312 |
logD: | 3.7312 |
logSw: | -3.8939 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 48.932 |
InChI Key: | UROPZKPKJDFSQE-JOCHJYFZSA-N |