AC1M0FDL
N-phenyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)-N-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide|N-phenyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|N-phenyl-2-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H19N5O2S2 |
|---|---|
| Molecular Weight | 413.09802 g/mol |
| LogP | 3.7281 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.09802 |
| Monoisotopic Mass | 413.09802 |
| Heavy Atoms | 28 |
| Complexity | 969.88776 |
Chemical Identifiers
| CAS Number | 780786-50-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=NN3)C(=O)NC4=CC=CC=C4 |
Product Overview
AC1M0FDL (CAS 780786-50-7), with molecular formula C19H19N5O2S2 and molecular weight 413.09802 g/mol. IUPAC: N-phenyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
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