3-bromo-N-(2-phenyl-1,3-benzoxazol-5-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-(2-phenyl-1,3-benzoxazol-5-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-(2-phenyl-1,3-benzoxazol-5-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0246 |
| Compound Name: | 3-bromo-N-(2-phenyl-1,3-benzoxazol-5-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 461.28 |
| Molecular Formula: | C21 H13 Br N6 O2 |
| Smiles: | c1ccc(cc1)c1nc2cc(ccc2o1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2195 |
| logD: | 4.2088 |
| logSw: | -4.4787 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.021 |
| InChI Key: | MWQYWZQHEYTAIU-UHFFFAOYSA-N |