3-bromo-N-[2-(ethylsulfanyl)ethyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-[2-(ethylsulfanyl)ethyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-[2-(ethylsulfanyl)ethyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0307 |
| Compound Name: | 3-bromo-N-[2-(ethylsulfanyl)ethyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 356.24 |
| Molecular Formula: | C12 H14 Br N5 O S |
| Smiles: | CCSCCNC(c1c(ccc(n1)n1cnnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9145 |
| logD: | 1.9145 |
| logSw: | -2.4895 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.646 |
| InChI Key: | XMEJPUGRXDNYRN-UHFFFAOYSA-N |