3-bromo-N-(3-cyano-6-methyl-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-6-methyl-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-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0225 |
| Compound Name: | 3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 443.32 |
| Molecular Formula: | C18 H15 Br N6 O S |
| Smiles: | CC1CCc2c(C#N)c(NC(c3c(ccc(n3)n3cnnc3)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8892 |
| logD: | 0.3323 |
| logSw: | -4.3333 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.982 |
| InChI Key: | JRWLUCUNKGZYHY-SNVBAGLBSA-N |