2-phenoxy-1-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
2-phenoxy-1-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)propan-1-one
2-phenoxy-1-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S460-0716 |
| Compound Name: | 2-phenoxy-1-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 396.45 |
| Molecular Formula: | C20 H24 N6 O3 |
| Smiles: | CC(C)c1nc(c2cn(C3CCN(C3)C(C(C)Oc3ccccc3)=O)nn2)on1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5549 |
| logD: | 2.5549 |
| logSw: | -2.3551 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.659 |
| InChI Key: | WBPXIDCNIUKTFL-UHFFFAOYSA-N |