(4-tert-butylphenyl)(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)methanone
(4-tert-butylphenyl)(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S460-0735 |
| Compound Name: | (4-tert-butylphenyl)(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)methanone |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | CC(C)c1nc(c2cn(C3CCN(C3)C(c3ccc(cc3)C(C)(C)C)=O)nn2)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9708 |
| logD: | 3.9708 |
| logSw: | -3.86 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.87 |
| InChI Key: | PEYWPRQLMVLQCC-QGZVFWFLSA-N |