2-phenyl-1-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)butan-1-one
Chemical Structure Depiction of
2-phenyl-1-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)butan-1-one
2-phenyl-1-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | S460-0667 |
| Compound Name: | 2-phenyl-1-(3-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)butan-1-one |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | CCC(C(N1CCC(C1)n1cc(c2nc(C(C)C)no2)nn1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3348 |
| logD: | 3.3348 |
| logSw: | -3.3458 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.87 |
| InChI Key: | PUBKWTARHXIARB-UHFFFAOYSA-N |