1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-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-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB32-0939 |
| Compound Name: | 1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C23 H26 N4 O3 |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(Cc1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4157 |
| logD: | 3.4113 |
| logSw: | -3.7876 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.073 |
| InChI Key: | ZUJKNOKADPZVSN-AZUAARDMSA-N |