AC1MJJS7
2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
Also Known As: BAS 02138615|2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide|2-({5-[(4-Chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-nitrophenyl)acetamide|2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
| Molecular Formula | C18H17ClN6O3S |
|---|---|
| Molecular Weight | 432.07715 g/mol |
| LogP | 3.7196 |
| Topological Polar Surface Area | 114.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.07715 |
| Monoisotopic Mass | 432.07715 |
| Heavy Atoms | 29 |
| Complexity | 1024.6908 |
Chemical Identifiers
| CAS Number | 333313-79-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])CNC3=CC=C(C=C3)Cl |
Product Overview
AC1MJJS7 (CAS 333313-79-4), with molecular formula C18H17ClN6O3S and molecular weight 432.07715 g/mol. IUPAC: 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide.
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