1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(4-ethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(4-ethoxyphenyl)ethan-1-one
1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(4-ethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SD73-0561 |
| Compound Name: | 1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(4-ethoxyphenyl)ethan-1-one |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C25 H30 N4 O2 |
| Smiles: | CCOc1ccc(CC(N2CCCC2CCc2nncn2Cc2ccccc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3506 |
| logD: | 3.3506 |
| logSw: | -3.3575 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.556 |
| InChI Key: | BFQSSHHUGWGEJI-JOCHJYFZSA-N |