1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-methoxyethan-1-one
1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | SB34-0234 |
| Compound Name: | 1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 324.4 |
| Molecular Formula: | C16 H25 F N4 O2 |
| Smiles: | COCC(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CCCCC2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4277 |
| logD: | 1.4253 |
| logSw: | -2.1653 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.993 |
| InChI Key: | WTLPHKUPGVGPGK-STQMWFEESA-N |