2-(2-methylphenyl)-1-(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(2-methylphenyl)-1-(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)ethan-1-one
2-(2-methylphenyl)-1-(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S454-0396 |
| Compound Name: | 2-(2-methylphenyl)-1-(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | CC(C)c1nc(c2cn(C3CCN(CC3)C(Cc3ccccc3C)=O)nn2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7108 |
| logD: | 3.7108 |
| logSw: | -3.7024 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.043 |
| InChI Key: | KERXEOYYKJLQAM-UHFFFAOYSA-N |