1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(3-methylphenoxy)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-methylphenoxy)ethan-1-one
1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | SD73-0562 |
| Compound Name: | 1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | Cc1cccc(c1)OCC(N1CCCC1CCc1nncn1Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1861 |
| logD: | 3.1861 |
| logSw: | -3.153 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.932 |
| InChI Key: | QVUGPCZEIZFGJV-OAQYLSRUSA-N |