AC1NN76C
N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
Also Known As: Oprea1_608117|F0721-0718|N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dimethylsulfamoyl)benzamide|N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide|N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide
| Molecular Formula | C27H25N7O4S3 |
|---|---|
| Molecular Weight | 607.11304 g/mol |
| LogP | 3.7881 |
| Topological Polar Surface Area | 139.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 607.11304 |
| Monoisotopic Mass | 607.11304 |
| Heavy Atoms | 41 |
| Complexity | 1768.7762 |
Chemical Identifiers
| CAS Number | 393875-20-2 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
AC1NN76C (CAS 393875-20-2), with molecular formula C27H25N7O4S3 and molecular weight 607.11304 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide.