(2H-1,3-benzodioxol-5-yl)(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)methanone
(2H-1,3-benzodioxol-5-yl)(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | S454-0421 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)(4-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C20 H22 N6 O4 |
| Smiles: | CC(C)c1nc(c2cn(C3CCN(CC3)C(c3ccc4c(c3)OCO4)=O)nn2)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.513 |
| logD: | 2.513 |
| logSw: | -2.7376 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 91.686 |
| InChI Key: | PXCHLPDEVVKDEC-UHFFFAOYSA-N |