2-(benzyloxy)-1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(benzyloxy)-1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]ethan-1-one
2-(benzyloxy)-1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB34-1210 |
| Compound Name: | 2-(benzyloxy)-1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C22 H29 F N4 O2 |
| Smiles: | C1CCC(CC1)c1nc([C@@H]2CN(C[C@H]2CF)C(COCc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0909 |
| logD: | 3.0885 |
| logSw: | -3.1446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.732 |
| InChI Key: | JJZKPOKNHHFKIU-OALUTQOASA-N |