[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](1-ethyl-1H-pyrazol-4-yl)methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](1-ethyl-1H-pyrazol-4-yl)methanone
[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](1-ethyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | SB34-1205 |
| Compound Name: | [rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl](1-ethyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C19 H27 F N6 O |
| Smiles: | CCn1cc(cn1)C(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CCCCC2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9394 |
| logD: | 1.9383 |
| logSw: | -2.4082 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.327 |
| InChI Key: | CZCYEEVYGIFPQI-HOCLYGCPSA-N |