1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one
1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB34-1037 |
| Compound Name: | 1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C18 H20 F2 N4 O |
| Smiles: | C1CC1c1nc([C@@H]2CN(C[C@H]2CF)C(Cc2ccccc2F)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5727 |
| logD: | 2.5525 |
| logSw: | -2.8387 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.629 |
| InChI Key: | DFBAEQLCNFESKW-ZIAGYGMSSA-N |