5-[rel-(3R,4R)-1-(3-fluoro-4-methylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-(3-fluoro-4-methylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-(3-fluoro-4-methylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-1017 |
| Compound Name: | 5-[rel-(3R,4R)-1-(3-fluoro-4-methylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 368.43 |
| Molecular Formula: | C16 H21 F N4 O3 S |
| Smiles: | Cc1ccc(cc1F)S(N1C[C@@H](COC)[C@@H](C1)c1nc(C)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0201 |
| logD: | 2.0196 |
| logSw: | -2.7912 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.004 |
| InChI Key: | MZJDGVJOJBBCCG-GXTWGEPZSA-N |