1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one
1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB34-1261 |
| Compound Name: | 1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethan-1-one |
| Molecular Weight: | 320.34 |
| Molecular Formula: | C16 H18 F2 N4 O |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2CF)C(Cc2ccccc2F)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6017 |
| logD: | 1.6009 |
| logSw: | -2.1852 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.99 |
| InChI Key: | XKAQROCPIFDRBZ-CHWSQXEVSA-N |