1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-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]-3-(4-methoxyphenyl)propan-1-one
1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | SB34-1149 |
| Compound Name: | 1-[rel-(3R,4R)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C23 H31 F N4 O2 |
| Smiles: | COc1ccc(CCC(N2C[C@@H](CF)[C@@H](C2)c2nc(C3CCCCC3)n[nH]2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8328 |
| logD: | 3.8304 |
| logSw: | -4.0706 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.841 |
| InChI Key: | VOUPZPLRHGJVJG-ICSRJNTNSA-N |