3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(phenylmethanesulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(phenylmethanesulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(phenylmethanesulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0168 |
| Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(phenylmethanesulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 364.44 |
| Molecular Formula: | C17 H21 F N4 O2 S |
| Smiles: | C1CC1c1nc([C@@H]2CN(C[C@H]2CF)S(Cc2ccccc2)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8725 |
| logD: | 1.8675 |
| logSw: | -2.5244 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.113 |
| InChI Key: | BBCMGQDYLKRPSF-HUUCEWRRSA-N |