N-[3-(methylsulfanyl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
N-[3-(methylsulfanyl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0122 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C15 H13 N5 O S |
| Smiles: | CSc1cccc(c1)NC(c1cccc(n1)n1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.559 |
| logD: | 2.5589 |
| logSw: | -3.0438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.441 |
| InChI Key: | MHETYLDGCNDRHL-UHFFFAOYSA-N |