AC1NRLSJ
4-(dimethylsulfamoyl)-N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: Oprea1_331973|F0721-0720|4-(dimethylsulfamoyl)-N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)benzamide|4-(N,N-dimethylsulfamoyl)-N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide|4-(dimethylsulfamoyl)-N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C24H26N8O4S4 |
|---|---|
| Molecular Weight | 618.096 g/mol |
| LogP | 3.1419 |
| Topological Polar Surface Area | 152.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 618.096 |
| Monoisotopic Mass | 618.096 |
| Heavy Atoms | 40 |
| Complexity | 1571.8604 |
Chemical Identifiers
| CAS Number | 393875-22-4 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C |
Product Overview
AC1NRLSJ (CAS 393875-22-4), with molecular formula C24H26N8O4S4 and molecular weight 618.096 g/mol. IUPAC: 4-(dimethylsulfamoyl)-N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide.