3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0301 |
| Compound Name: | 3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 402.2 |
| Molecular Formula: | C16 H12 Br N5 O3 |
| Smiles: | C1COc2cc(ccc2O1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7715 |
| logD: | 1.7596 |
| logSw: | -2.4892 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.034 |
| InChI Key: | VGDLICHAWZQKLY-UHFFFAOYSA-N |