3-bromo-N-(3-butanamidophenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-(3-butanamidophenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-(3-butanamidophenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0227 |
| Compound Name: | 3-bromo-N-(3-butanamidophenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 429.27 |
| Molecular Formula: | C18 H17 Br N6 O2 |
| Smiles: | CCCC(Nc1cccc(c1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9887 |
| logD: | 2.9885 |
| logSw: | -3.2886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.36 |
| InChI Key: | SVHZPZBNMDEDEW-UHFFFAOYSA-N |