AC1OB7T0
2-[[5-[(3-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
Also Known As: AK-968/40708279|2-[[5-[(3-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide|2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(4-pyridinylmethylene)acetohydrazide|2-[(5-{[(3-chlorophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
| Molecular Formula | C18H18ClN7OS |
|---|---|
| Molecular Weight | 415.0982 g/mol |
| LogP | 2.718 |
| Topological Polar Surface Area | 97.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.0982 |
| Monoisotopic Mass | 415.0982 |
| Heavy Atoms | 28 |
| Complexity | 961.57776 |
Chemical Identifiers
| CAS Number | 445005-80-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=NC=C2)CNC3=CC(=CC=C3)Cl |
Product Overview
AC1OB7T0 (CAS 445005-80-1), with molecular formula C18H18ClN7OS and molecular weight 415.0982 g/mol. IUPAC: 2-[[5-[(3-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide.
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