2-(4-fluorophenoxy)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenoxy)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
2-(4-fluorophenoxy)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB32-0157 |
| Compound Name: | 2-(4-fluorophenoxy)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C17 H21 F N4 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2COC)C(COc2ccc(cc2)F)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9786 |
| logD: | 0.9781 |
| logSw: | -2.1515 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.913 |
| InChI Key: | APOUBHFHQDUHEJ-SWLSCSKDSA-N |