3-methyl-N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(quinoline-2-carbonyl)pyrrolidin-3-yl]butanamide
Chemical Structure Depiction of
3-methyl-N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(quinoline-2-carbonyl)pyrrolidin-3-yl]butanamide
3-methyl-N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(quinoline-2-carbonyl)pyrrolidin-3-yl]butanamide
Compound characteristics
| Compound ID: | SB18-0125 |
| Compound Name: | 3-methyl-N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(quinoline-2-carbonyl)pyrrolidin-3-yl]butanamide |
| Molecular Weight: | 406.49 |
| Molecular Formula: | C22 H26 N6 O2 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(c1ccc2ccccc2n1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6224 |
| logD: | 2.6217 |
| logSw: | -3.1708 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.613 |
| InChI Key: | ZWVIAVRCTBFXBJ-APWZRJJASA-N |