2-(3-methylphenyl)-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenyl)-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethan-1-one
2-(3-methylphenyl)-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S564-0810 |
| Compound Name: | 2-(3-methylphenyl)-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C22 H25 N5 O |
| Smiles: | Cc1cccc(CC(N2CCC(CC2)Cc2nnc(c3ccncc3)[nH]2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.203 |
| logD: | 3.1796 |
| logSw: | -2.9955 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.291 |
| InChI Key: | ZXYNPELPLITXFQ-UHFFFAOYSA-N |