Picloxydine Digluconate
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: Picloxydine Digluconate|BAS 01290815|N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((3-(m-tolyl)-1H-1,2,4-triazol-5-yl)thio)acetamide|AG-690/13704229|N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-{[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide|N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(5-m-tolyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
| Molecular Formula | C20H19N5OS2 |
|---|---|
| Molecular Weight | 409.1031 g/mol |
| LogP | 4.3229 |
| Topological Polar Surface Area | 94.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.1031 |
| Monoisotopic Mass | 409.1031 |
| Heavy Atoms | 28 |
| Complexity | 1062.9783 |
Chemical Identifiers
| CAS Number | 29147-50-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC(=NN2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N |
Product Overview
Picloxydine Digluconate (CAS 29147-50-0), with molecular formula C20H19N5OS2 and molecular weight 409.1031 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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