N-[(3S,5S)-1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(3S,5S)-1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | SB18-0162 |
| Compound Name: | N-[(3S,5S)-1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C21 H27 N7 O3 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(c1ccc(Cn2ccnc2)o1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2786 |
| logD: | 1.2556 |
| logSw: | -1.8523 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.674 |
| InChI Key: | KMBZVDURHNENTL-WBVHZDCISA-N |