1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-4-methylpentan-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]-4-methylpentan-1-one
1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
Compound characteristics
| Compound ID: | SB34-1150 |
| Compound Name: | 1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-4-methylpentan-1-one |
| Molecular Weight: | 350.48 |
| Molecular Formula: | C19 H31 F N4 O |
| Smiles: | CC(C)CCC(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CCCCC2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6046 |
| logD: | 3.6022 |
| logSw: | -3.7855 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.569 |
| InChI Key: | DOARDRXVRSXCPG-HOTGVXAUSA-N |