3-methyl-N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1H-pyrazol-1-yl)acetyl]pyrrolidin-3-yl}butanamide
Chemical Structure Depiction of
3-methyl-N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1H-pyrazol-1-yl)acetyl]pyrrolidin-3-yl}butanamide
3-methyl-N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1H-pyrazol-1-yl)acetyl]pyrrolidin-3-yl}butanamide
Compound characteristics
| Compound ID: | SB18-0173 |
| Compound Name: | 3-methyl-N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[(1H-pyrazol-1-yl)acetyl]pyrrolidin-3-yl}butanamide |
| Molecular Weight: | 359.43 |
| Molecular Formula: | C17 H25 N7 O2 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(Cn1cccn1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.2756 |
| logD: | 0.2749 |
| logSw: | -1.0348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.55 |
| InChI Key: | WGFWQDZZCVLERS-KGLIPLIRSA-N |