rel-(3R,4R)-1-[3-(4-methoxyphenyl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[3-(4-methoxyphenyl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[3-(4-methoxyphenyl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0075 |
| Compound Name: | rel-(3R,4R)-1-[3-(4-methoxyphenyl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C18 H23 N5 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(N)=O)C(CCc2ccc(cc2)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4454 |
| logD: | 0.445 |
| logSw: | -2.0754 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.593 |
| InChI Key: | MJFYLWFELPECHF-GJZGRUSLSA-N |