5-[rel-(3R,4R)-1-[(4-ethylphenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-[(4-ethylphenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-[(4-ethylphenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1369 |
| Compound Name: | 5-[rel-(3R,4R)-1-[(4-ethylphenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 302.39 |
| Molecular Formula: | C17 H23 F N4 |
| Smiles: | CCc1ccc(CN2C[C@@H](CF)[C@@H](C2)c2nc(C)n[nH]2)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5264 |
| logD: | -0.2583 |
| logSw: | -2.7322 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.602 |
| InChI Key: | DRFNGNNQKGMKOJ-HOTGVXAUSA-N |