1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethan-1-one
1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB32-0773 |
| Compound Name: | 1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | Cc1ccccc1CC(N1C[C@@H](COC)[C@@H](C1)c1nc(C2CC2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1756 |
| logD: | 3.1698 |
| logSw: | -3.1634 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.053 |
| InChI Key: | AWKYJVYWJOLHHR-DLBZAZTESA-N |