5-[rel-(3R,4R)-4-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-4-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-4-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Compound characteristics
Compound ID: | SB34-0408 |
Compound Name: | 5-[rel-(3R,4R)-4-(fluoromethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole |
Molecular Weight: | 330.4 |
Molecular Formula: | C18 H23 F N4 O |
Smiles: | C1COCCC1N1C[C@@H](CF)[C@@H](C1)c1nc(c2ccccc2)n[nH]1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.2446 |
logD: | -0.7004 |
logSw: | -2.5632 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.179 |
InChI Key: | FDCOOZVSHBWFQL-HOCLYGCPSA-N |