1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(2-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(2-fluorophenyl)ethan-1-one
1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(2-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | SD73-0519 |
| Compound Name: | 1-{2-[2-(4-benzyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-(2-fluorophenyl)ethan-1-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C23 H25 F N4 O |
| Smiles: | C1CC(CCc2nncn2Cc2ccccc2)N(C1)C(Cc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2153 |
| logD: | 3.2153 |
| logSw: | -3.1219 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.432 |
| InChI Key: | CMCZBPBDMFSISL-HXUWFJFHSA-N |