1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)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-(4-methylphenyl)ethan-1-one
1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB34-1243 |
| Compound Name: | 1-[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C17 H21 F N4 O |
| Smiles: | Cc1ccc(CC(N2C[C@@H](CF)[C@@H](C2)c2nc(C)n[nH]2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7914 |
| logD: | 1.7906 |
| logSw: | -2.4132 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.99 |
| InChI Key: | BLQGYDZFDAAYAT-GJZGRUSLSA-N |