3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0222 |
| Compound Name: | 3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 429.3 |
| Molecular Formula: | C17 H13 Br N6 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1c(ccc(n1)n1cnnc1)[Br])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.4552 |
| logD: | -0.1017 |
| logSw: | -4.0674 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.982 |
| InChI Key: | DYXRUGKERAFRSC-UHFFFAOYSA-N |