N-[rel-(3R,4S)-1-[(5-methylpyridin-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(5-methylpyridin-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-[(5-methylpyridin-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1332 |
| Compound Name: | N-[rel-(3R,4S)-1-[(5-methylpyridin-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 376.46 |
| Molecular Formula: | C21 H24 N6 O |
| Smiles: | CC(N[C@@H]1CN(Cc2ccc(C)cn2)C[C@H]1c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0302 |
| logD: | 1.1401 |
| logSw: | -2.6494 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.857 |
| InChI Key: | MDUNUPUGQYVUHE-OALUTQOASA-N |