3-(3-methoxyphenyl)-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)propan-1-one
3-(3-methoxyphenyl)-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S564-0768 |
| Compound Name: | 3-(3-methoxyphenyl)-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)propan-1-one |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C23 H27 N5 O2 |
| Smiles: | COc1cccc(CCC(N2CCC(CC2)Cc2nnc(c3ccncc3)[nH]2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.819 |
| logD: | 2.7957 |
| logSw: | -3.1692 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.835 |
| InChI Key: | QZEHVXBFEMUSQF-UHFFFAOYSA-N |