2-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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: | S460-0658 |
| Compound Name: | 2-(4-ethoxyphenyl)-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: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | CCOc1ccc(CC(N2CCC(C2)n2cc(c3nc(C(C)C)no3)nn2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.856 |
| logD: | 2.856 |
| logSw: | -2.8933 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.466 |
| InChI Key: | YGMHQEMUMAIDSS-MRXNPFEDSA-N |