AC1MIJW5
N-[2-(2-benzylbenzimidazol-1-yl)ethyl]-2-methyl-3-phenothiazin-10-ylpropan-1-amine;oxalic acid
Also Known As: 10-(3-((2-(2-Benzyl-1-benzimidazolyl)ethyl)amino)-2-methylpropyl)phenothiazine oxalate|Phenothiazine, 10-(3-((2-(2-benzyl-1-benzimidazolyl)ethyl)amino)-2-methylpropyl)-, oxalate|Phenothiazine,10-(3-((2-(2-benzyl-1-benzimidazolyl)ethyl)amino)-2-methylpropyl)-,oxalate|N-[2-(2-benzylbenzimidazol-1-yl)ethyl]-2-methyl-3-phenothiazin-10-ylpropan-1-amine,oxalic acid|N-[2-(2-benzylbenzimidazol-1-yl)ethyl]-2-methyl-3-phenothiazin-10-ylpropan-1-amine; oxalic acid|Oxalic acid--N-[2-(2-benzyl-1H-1,3-benzimidazol-1-yl)ethyl]-2-methyl-3-(10H-phenothiazin-10-yl)propan-1-amine (1/1)|Oxalic acid--N-[2-(2-benzyl-1H-benzimidazol-1-yl)ethyl]-2-methyl-3-(10H-phenothiazin-10-yl)propan-1-amine (1/1)
| Molecular Formula | C34H34N4O4S |
|---|---|
| Molecular Weight | 594.2301 g/mol |
| LogP | 6.3113 |
| Topological Polar Surface Area | 107.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 594.2301 |
| Monoisotopic Mass | 594.2301 |
| Heavy Atoms | 43 |
| Complexity | 1648.0623 |
Chemical Identifiers
| CAS Number | 61981-87-1 |
|---|---|
| SMILES | CC(CNCCN1C2=CC=CC=C2N=C1CC3=CC=CC=C3)CN4C5=CC=CC=C5SC6=CC=CC=C64.C(=O)(C(=O)O)O |
Product Overview
AC1MIJW5 (CAS 61981-87-1), with molecular formula C34H34N4O4S and molecular weight 594.2301 g/mol. IUPAC: N-[2-(2-benzylbenzimidazol-1-yl)ethyl]-2-methyl-3-phenothiazin-10-ylpropan-1-amine;oxalic acid.