(3,4-dimethoxyphenyl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(3,4-dimethoxyphenyl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
(3,4-dimethoxyphenyl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | S564-0757 |
| Compound Name: | (3,4-dimethoxyphenyl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | COc1ccc(cc1OC)C(N1CCC(CC1)Cc1nnc(c2ccncc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7717 |
| logD: | 1.7484 |
| logSw: | -1.8424 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.08 |
| InChI Key: | NFAKDZKDTKJELD-UHFFFAOYSA-N |