AC1NET1I
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate
Also Known As: 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate|[(2-BENZOYL-4-CHLOROPHENYL)CARBAMOYL]METHYL 4-BENZYLPIPERAZINE-1-CARBODITHIOATE|[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate|2-((2-benzoyl-4-chlorophenyl)amino)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate|N-(2-benzoyl-4-chloro-phenyl)-2-(4-benzylpiperazine-1-carbothioyl)sulfanyl-acetamide|N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-benzylpiperazinyl]thioxomethylthio }acetamide
| Molecular Formula | C27H26ClN3O2S2 |
|---|---|
| Molecular Weight | 523.1155 g/mol |
| LogP | 5.3454 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.1155 |
| Monoisotopic Mass | 523.1155 |
| Heavy Atoms | 35 |
| Complexity | 1183.5454 |
Chemical Identifiers
| CAS Number | 577984-96-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4 |
Product Overview
AC1NET1I (CAS 577984-96-4), with molecular formula C27H26ClN3O2S2 and molecular weight 523.1155 g/mol. IUPAC: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate.