1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | SB34-0486 |
| Compound Name: | 1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C22 H23 F N4 O2 |
| Smiles: | Cc1cccc(c1)OCC(N1C[C@@H](CF)[C@@H](C1)c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RELATIVE |
| logP: | 3.2282 |
| logD: | 3.2239 |
| logSw: | -3.5016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.605 |
| InChI Key: | XTIDOXGXZXYSBN-HKUYNNGSSA-N |