2-phenyl-1-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-phenyl-1-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
2-phenyl-1-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | P937-2122 |
| Compound Name: | 2-phenyl-1-(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 347.42 |
| Molecular Formula: | C20 H21 N5 O |
| Smiles: | C1CN(CC1Cc1nnc(c2ccncc2)[nH]1)C(Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1888 |
| logD: | 2.1656 |
| logSw: | -2.1632 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.591 |
| InChI Key: | DTFRYCQQYTYUTG-INIZCTEOSA-N |