2-(4-fluorophenoxy)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-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-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
2-(4-fluorophenoxy)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB32-0979 |
| Compound Name: | 2-(4-fluorophenoxy)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C22 H23 F N4 O3 |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(COc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8457 |
| logD: | 2.8413 |
| logSw: | -3.1843 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.029 |
| InChI Key: | NOMZFJSIHDRORN-QFBILLFUSA-N |