3-bromo-N-{4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-{4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-{4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0226 |
| Compound Name: | 3-bromo-N-{4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 498.38 |
| Molecular Formula: | C22 H24 Br N7 O2 |
| Smiles: | CC(C)C(N1CCN(CC1)c1ccc(cc1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.119 |
| logD: | 3.1178 |
| logSw: | -3.4472 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.391 |
| InChI Key: | KGXWZLOTZSCVOI-UHFFFAOYSA-N |