2-{[4-ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[4-ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-5519 |
| Compound Name: | 2-{[4-ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 336.48 |
| Molecular Formula: | C15 H20 N4 O S2 |
| Smiles: | CCn1c(c2csc3CC(C)CCc23)nnc1SCC(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8902 |
| logD: | 2.89 |
| logSw: | -3.3032 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.564 |
| InChI Key: | PAXDWHDRROHDCI-SECBINFHSA-N |