1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)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-(3-methoxyphenyl)ethan-1-one
1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB34-1238 |
| Compound Name: | 1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C17 H21 F N4 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2CF)C(Cc2cccc(c2)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4689 |
| logD: | 1.4682 |
| logSw: | -2.2689 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.534 |
| InChI Key: | PAQCVPNWIUSBAL-ZFWWWQNUSA-N |