2-(4-chlorophenyl)-1-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-1-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)ethan-1-one
2-(4-chlorophenyl)-1-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S460-0672 |
| Compound Name: | 2-(4-chlorophenyl)-1-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 400.87 |
| Molecular Formula: | C19 H21 Cl N6 O2 |
| Smiles: | CC(C)c1nc(c2cn(C3CCN(C3)C(Cc3ccc(cc3)[Cl])=O)nn2)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0818 |
| logD: | 3.0818 |
| logSw: | -3.3286 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.342 |
| InChI Key: | YPSHPPBXLDONMX-OAHLLOKOSA-N |