2-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
2-(2,5-dimethoxyphenyl)-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: | SB32-0891 |
| Compound Name: | 2-(2,5-dimethoxyphenyl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C24 H28 N4 O4 |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(Cc1cc(ccc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3834 |
| logD: | 3.379 |
| logSw: | -3.6895 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.703 |
| InChI Key: | XPKJIVGNWBXYFO-AZUAARDMSA-N |