1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)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-(4-methoxyphenyl)ethan-1-one
1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB34-0436 |
| Compound Name: | 1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C22 H23 F N4 O2 |
| Smiles: | COc1ccc(CC(N2C[C@@H](CF)[C@@H](C2)c2nc(c3ccccc3)n[nH]2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2174 |
| logD: | 3.2131 |
| logSw: | -3.3888 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.649 |
| InChI Key: | RCBOYOMMPPGLHB-HKUYNNGSSA-N |