(5-bromofuran-2-yl)[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(5-bromofuran-2-yl)[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]methanone
(5-bromofuran-2-yl)[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]methanone
Compound characteristics
Compound ID: | SB34-1138 |
Compound Name: | (5-bromofuran-2-yl)[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]methanone |
Molecular Weight: | 425.3 |
Molecular Formula: | C18 H22 Br F N4 O2 |
Smiles: | C1CCC(CC1)c1nc([C@@H]2CN(C[C@H]2CF)C(c2ccc(o2)[Br])=O)[nH]n1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 3.4873 |
logD: | 3.4862 |
logSw: | -3.5352 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.751 |
InChI Key: | UTEZQBRLVNMNSZ-CHWSQXEVSA-N |