3-methyl-N-[(3S,5S)-1-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide
Chemical Structure Depiction of
3-methyl-N-[(3S,5S)-1-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide
3-methyl-N-[(3S,5S)-1-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide
Compound characteristics
| Compound ID: | SB18-1238 |
| Compound Name: | 3-methyl-N-[(3S,5S)-1-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C21 H28 N8 O3 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(c1c(Cn2cccn2)c(C)on1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8682 |
| logD: | 0.8675 |
| logSw: | -1.3278 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.037 |
| InChI Key: | NMLSSRZLHHUFRM-WBVHZDCISA-N |