AC1LX46Q
N-(2,5-dichlorophenyl)-2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AK-968/12974842|2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide|N-(2,5-dichlorophenyl)-2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(2,5-dichlorophenyl)-2-{[5-{[(4-iodophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H18Cl2IN5OS |
|---|---|
| Molecular Weight | 572.9654 g/mol |
| LogP | 5.7184 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 572.9654 |
| Monoisotopic Mass | 572.9654 |
| Heavy Atoms | 30 |
| Complexity | 1042.1761 |
Chemical Identifiers
| CAS Number | 445253-39-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)Cl)CNC3=CC=C(C=C3)I |
Product Overview
AC1LX46Q (CAS 445253-39-4), with molecular formula C20H18Cl2IN5OS and molecular weight 572.9654 g/mol. IUPAC: N-(2,5-dichlorophenyl)-2-[[5-[(4-iodoanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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