5-[rel-(3R,4R)-4-(methoxymethyl)-1-(propane-2-sulfonyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-4-(methoxymethyl)-1-(propane-2-sulfonyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-4-(methoxymethyl)-1-(propane-2-sulfonyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0980 |
| Compound Name: | 5-[rel-(3R,4R)-4-(methoxymethyl)-1-(propane-2-sulfonyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole |
| Molecular Weight: | 364.46 |
| Molecular Formula: | C17 H24 N4 O3 S |
| Smiles: | CC(C)S(N1C[C@@H](COC)[C@@H](C1)c1nc(c2ccccc2)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4241 |
| logD: | 2.4198 |
| logSw: | -2.8461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.391 |
| InChI Key: | CYFPCVWTRBJSAT-LSDHHAIUSA-N |