1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-phenoxyethan-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-phenoxyethan-1-one
1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | SB34-0013 |
| Compound Name: | 1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C16 H19 F N4 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2CF)C(COc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8413 |
| logD: | 0.8406 |
| logSw: | -2.0266 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.489 |
| InChI Key: | KILMCROSJMWQKJ-JSGCOSHPSA-N |