1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-2-(pyridin-3-yl)ethan-1-one
Chemical Structure Depiction of
1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-2-(pyridin-3-yl)ethan-1-one
1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-2-(pyridin-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | P936-2019 |
| Compound Name: | 1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-2-(pyridin-3-yl)ethan-1-one |
| Molecular Weight: | 347.42 |
| Molecular Formula: | C20 H21 N5 O |
| Smiles: | C1CN(CC1Cc1nncn1c1ccccc1)C(Cc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5693 |
| logD: | 1.5608 |
| logSw: | -0.9861 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.697 |
| InChI Key: | UWBYHGQMYDEDOJ-KRWDZBQOSA-N |