2-(3-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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: | S460-0327 |
| Compound Name: | 2-(3-methylphenyl)-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: | 414.47 |
| Molecular Formula: | C23 H22 N6 O2 |
| Smiles: | Cc1cccc(CC(N2CCC(C2)n2cc(c3nc(c4ccccc4)no3)nn2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9757 |
| logD: | 3.9757 |
| logSw: | -3.9581 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.071 |
| InChI Key: | BZRWCIFYUGIOAN-LJQANCHMSA-N |