5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0026 |
| Compound Name: | 5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C13 H18 F N5 O3 S |
| Smiles: | Cc1c(c(C)on1)S(N1C[C@@H](CF)[C@@H](C1)c1nc(C)n[nH]1)(=O)=O |
| Stereo: | RELATIVE |
| logP: | -0.0068 |
| logD: | -0.0073 |
| logSw: | -2.1458 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.618 |
| InChI Key: | UKVMWSPNNVHHIG-GHMZBOCLSA-N |