5-[rel-(3R,4R)-4-(fluoromethyl)-1-(4-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-4-(fluoromethyl)-1-(4-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-4-(fluoromethyl)-1-(4-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0001 |
| Compound Name: | 5-[rel-(3R,4R)-4-(fluoromethyl)-1-(4-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 354.4 |
| Molecular Formula: | C15 H19 F N4 O3 S |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2CF)S(c2ccc(cc2)OC)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2666 |
| logD: | 1.2661 |
| logSw: | -2.5451 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.124 |
| InChI Key: | DGTDRUSMBXTSRK-BXUZGUMPSA-N |