(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)(quinolin-2-yl)methanone
Chemical Structure Depiction of
(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)(quinolin-2-yl)methanone
(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)(quinolin-2-yl)methanone
Compound characteristics
| Compound ID: | S564-0733 |
| Compound Name: | (4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)(quinolin-2-yl)methanone |
| Molecular Weight: | 398.47 |
| Molecular Formula: | C23 H22 N6 O |
| Smiles: | C1CN(CCC1Cc1nnc(c2ccncc2)[nH]1)C(c1ccc2ccccc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9503 |
| logD: | 2.9269 |
| logSw: | -3.0718 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.149 |
| InChI Key: | DRJRBUQPPSINHJ-UHFFFAOYSA-N |