AC1MR6AO
ethyl 4-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: Oprea1_307740|F0721-0717|ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|ethyl 4-(2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|ethyl 4-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CAS: 393875-19-9
| Molecular Formula | C29H30N6O6S2 |
|---|---|
| Molecular Weight | 622.1668 g/mol |
| LogP | 3.3551 |
| Topological Polar Surface Area | 152.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 622.1668 |
| Monoisotopic Mass | 622.1668 |
| Heavy Atoms | 43 |
| Complexity | 1689.7515 |
Chemical Identifiers
| CAS Number | 393875-19-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C |
Product Overview
AC1MR6AO (CAS 393875-19-9), with molecular formula C29H30N6O6S2 and molecular weight 622.1668 g/mol. IUPAC: ethyl 4-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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