5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0052 |
| Compound Name: | 5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 294.39 |
| Molecular Formula: | C14 H19 F N4 S |
| Smiles: | Cc1ccsc1CN1C[C@@H](CF)[C@@H](C1)c1nc(C)n[nH]1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8824 |
| logD: | 0.0404 |
| logSw: | -2.3734 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.62 |
| InChI Key: | KZIAMMMZHHIEGC-VXGBXAGGSA-N |