3-bromo-N-{4-[(pyridin-4-yl)methyl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-{4-[(pyridin-4-yl)methyl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-{4-[(pyridin-4-yl)methyl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0271 |
| Compound Name: | 3-bromo-N-{4-[(pyridin-4-yl)methyl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 435.28 |
| Molecular Formula: | C20 H15 Br N6 O |
| Smiles: | C(c1ccc(cc1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O)c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1147 |
| logD: | 3.1142 |
| logSw: | -3.2693 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.368 |
| InChI Key: | DOJQFNQBSUVDRQ-UHFFFAOYSA-N |