5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(3-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(3-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(3-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1353 |
| Compound Name: | 5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(3-fluorophenyl)methanesulfonyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 356.39 |
| Molecular Formula: | C15 H18 F2 N4 O2 S |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2CF)S(Cc2cccc(c2)F)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3011 |
| logD: | 1.3006 |
| logSw: | -2.499 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.474 |
| InChI Key: | QMHBGCYSTARFGX-TZMCWYRMSA-N |