(3-chloro-4-fluorophenyl)[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]methanone
Chemical Structure Depiction of
(3-chloro-4-fluorophenyl)[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]methanone
(3-chloro-4-fluorophenyl)[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]methanone
Compound characteristics
| Compound ID: | SB34-1142 |
| Compound Name: | (3-chloro-4-fluorophenyl)[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]methanone |
| Molecular Weight: | 408.88 |
| Molecular Formula: | C20 H23 Cl F2 N4 O |
| Smiles: | C1CCC(CC1)c1nc([C@@H]2CN(C[C@H]2CF)C(c2ccc(c(c2)[Cl])F)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6721 |
| logD: | 3.671 |
| logSw: | -4.2307 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.825 |
| InChI Key: | TXZNIVBUSQEVFI-HUUCEWRRSA-N |