2-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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: | S460-0166 |
| Compound Name: | 2-(4-ethoxyphenyl)-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: | 444.49 |
| Molecular Formula: | C24 H24 N6 O3 |
| Smiles: | CCOc1ccc(CC(N2CCC(C2)n2cc(c3nc(c4ccccc4)no3)nn2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6526 |
| logD: | 3.6526 |
| logSw: | -3.4245 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.194 |
| InChI Key: | FZCGEKJIXDAEGJ-LJQANCHMSA-N |