5-[rel-(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0048 |
| Compound Name: | 5-[rel-(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C17 H23 F N4 O2 |
| Smiles: | Cc1nc([C@@H]2CN(Cc3ccc(cc3OC)OC)C[C@H]2CF)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7001 |
| logD: | -0.3111 |
| logSw: | -2.3888 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.776 |
| InChI Key: | OEXGXKJIUPCXMY-ZFWWWQNUSA-N |