N-[(3S,5S)-1-(5-bromopyridine-3-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-bromopyridine-3-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-(5-bromopyridine-3-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | SB18-0176 |
| Compound Name: | N-[(3S,5S)-1-(5-bromopyridine-3-carbonyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 435.32 |
| Molecular Formula: | C18 H23 Br N6 O2 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(c1cc(cnc1)[Br])=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.039 |
| logD: | 2.0383 |
| logSw: | -2.2545 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.89 |
| InChI Key: | MSARSNGIEJMUAJ-CABCVRRESA-N |