5-{rel-(3R,4R)-4-(methoxymethyl)-1-[(4-methylphenyl)methanesulfonyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-{rel-(3R,4R)-4-(methoxymethyl)-1-[(4-methylphenyl)methanesulfonyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
5-{rel-(3R,4R)-4-(methoxymethyl)-1-[(4-methylphenyl)methanesulfonyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0135 |
| Compound Name: | 5-{rel-(3R,4R)-4-(methoxymethyl)-1-[(4-methylphenyl)methanesulfonyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 364.46 |
| Molecular Formula: | C17 H24 N4 O3 S |
| Smiles: | Cc1ccc(CS(N2C[C@@H](COC)[C@@H](C2)c2nc(C)n[nH]2)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4044 |
| logD: | 1.4039 |
| logSw: | -2.4626 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.898 |
| InChI Key: | HPIAEEYUUQLLKT-JKSUJKDBSA-N |