(3-methylphenyl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(3-methylphenyl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
(3-methylphenyl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | S564-0708 |
| Compound Name: | (3-methylphenyl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone |
| Molecular Weight: | 361.45 |
| Molecular Formula: | C21 H23 N5 O |
| Smiles: | Cc1cccc(c1)C(N1CCC(CC1)Cc1nnc(c2ccncc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5185 |
| logD: | 2.4952 |
| logSw: | -2.3938 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.819 |
| InChI Key: | KQUUHORAYZTUER-UHFFFAOYSA-N |