N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0304 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 402.2 |
| Molecular Formula: | C16 H12 Br N5 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1c(ccc(n1)n1cnnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3033 |
| logD: | 2.3033 |
| logSw: | -2.9214 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.649 |
| InChI Key: | XHKJJQKFFXDMMU-UHFFFAOYSA-N |