5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0092 |
| Compound Name: | 5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 280.36 |
| Molecular Formula: | C13 H17 F N4 S |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cccs3)C[C@H]2CF)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4245 |
| logD: | -0.6311 |
| logSw: | -2.0394 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.62 |
| InChI Key: | OZEIQLUXJBRZTR-ZYHUDNBSSA-N |