5-[rel-(3R,4R)-1-(2-ethylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-(2-ethylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-(2-ethylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0147 |
| Compound Name: | 5-[rel-(3R,4R)-1-(2-ethylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 364.46 |
| Molecular Formula: | C17 H24 N4 O3 S |
| Smiles: | CCc1ccccc1S(N1C[C@@H](COC)[C@@H](C1)c1nc(C)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0096 |
| logD: | 2.0091 |
| logSw: | -2.6935 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.004 |
| InChI Key: | XTVCYMIYQYCRDG-LSDHHAIUSA-N |