3-bromo-N-(2,5-dimethoxyphenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-(2,5-dimethoxyphenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-(2,5-dimethoxyphenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0190 |
| Compound Name: | 3-bromo-N-(2,5-dimethoxyphenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 404.22 |
| Molecular Formula: | C16 H14 Br N5 O3 |
| Smiles: | COc1ccc(c(c1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6806 |
| logD: | 2.5443 |
| logSw: | -3.2923 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.688 |
| InChI Key: | JCGNGQWFTVBGGR-UHFFFAOYSA-N |