3-bromo-N-[(4-methoxyphenyl)methyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-[(4-methoxyphenyl)methyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-[(4-methoxyphenyl)methyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0263 |
| Compound Name: | 3-bromo-N-[(4-methoxyphenyl)methyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 388.22 |
| Molecular Formula: | C16 H14 Br N5 O2 |
| Smiles: | COc1ccc(CNC(c2c(ccc(n2)n2cnnc2)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3726 |
| logD: | 2.3726 |
| logSw: | -2.683 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.077 |
| InChI Key: | ORHPOKPAHXXXLZ-UHFFFAOYSA-N |