3-bromo-N-[3-(methylsulfanyl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-[3-(methylsulfanyl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-[3-(methylsulfanyl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0272 |
| Compound Name: | 3-bromo-N-[3-(methylsulfanyl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 390.26 |
| Molecular Formula: | C15 H12 Br N5 O S |
| Smiles: | CSc1cccc(c1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2599 |
| logD: | 3.2589 |
| logSw: | -3.6271 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.211 |
| InChI Key: | WNQDMBXXTLZPIB-UHFFFAOYSA-N |