1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethan-1-one
1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB34-1148 |
| Compound Name: | 1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 388.46 |
| Molecular Formula: | C21 H26 F2 N4 O |
| Smiles: | C1CCC(CC1)c1nc([C@@H]2CN(C[C@H]2CF)C(Cc2ccc(cc2)F)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5707 |
| logD: | 3.5684 |
| logSw: | -3.5434 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.298 |
| InChI Key: | MDEXGFXPBAZRKL-SJLPKXTDSA-N |