1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(4-ethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(4-ethoxyphenyl)ethan-1-one
1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(4-ethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S460-0822 |
| Compound Name: | 1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(4-ethoxyphenyl)ethan-1-one |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C21 H24 N6 O3 |
| Smiles: | CCOc1ccc(CC(N2CCC(C2)n2cc(c3nc(C4CC4)no3)nn2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.705 |
| logD: | 2.705 |
| logSw: | -2.6222 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.717 |
| InChI Key: | KTFTUHKLOKEPQQ-MRXNPFEDSA-N |