2-(3-methylphenoxy)-1-{3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenoxy)-1-{3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}ethan-1-one
2-(3-methylphenoxy)-1-{3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S460-0251 |
| Compound Name: | 2-(3-methylphenoxy)-1-{3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 430.47 |
| Molecular Formula: | C23 H22 N6 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1CCC(C1)n1cc(c2nc(c3ccccc3)no2)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2768 |
| logD: | 3.2768 |
| logSw: | -3.2492 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.57 |
| InChI Key: | JXSGRUNXRGVTAB-GOSISDBHSA-N |