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
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
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: | J015-0046 |
| Compound Name: | 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: | 350.4 |
| Molecular Formula: | C17 H14 N6 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1cccc(n1)n1cnnc1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.7543 |
| logD: | 0.136 |
| logSw: | -3.2333 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.212 |
| InChI Key: | NMKUQPFUBPTIQL-UHFFFAOYSA-N |