1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB32-0175 |
| Compound Name: | 1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C18 H24 N4 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2COC)C(Cc2cccc(c2)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5486 |
| logD: | 1.548 |
| logSw: | -2.2959 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.957 |
| InChI Key: | HMGFNOQEFWDXGV-GOEBONIOSA-N |