3-bromo-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0296 |
| Compound Name: | 3-bromo-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 471.31 |
| Molecular Formula: | C20 H19 Br N6 O3 |
| Smiles: | C1CC(CNC(c2ccc(cc2)NC(c2c(ccc(n2)n2cnnc2)[Br])=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8465 |
| logD: | 1.7614 |
| logSw: | -2.4718 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.279 |
| InChI Key: | XRLCSDJGAHNEMH-OAHLLOKOSA-N |