7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3(or 4)-[(4-chlorophenyl)thio]-11-methyl-
Basic information
- CAS
68092-70-6- Standard SMILES
Cc1ccc2c(c1)nc1c3ccc(Sc4ccc(Cl)cc4)c4cccc(c(=O)n21)c43- InChIKey
UQJPNWRXYFYENA-UHFFFAOYSA-N- Molecular formula
- C25H15ClN2OS
- Average molar mass
- 426.9 g/mol
- Monoisotopic mass
- 426.059362
Overview
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Names & identifiers
- Preferred name
- 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3(or 4)-[(4-chlorophenyl)thio]-11-methyl-
- IUPAC
- 17-(4-chlorophenyl)sulfanyl-6-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaen-11-one
- English name
- 3-[(4-chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one
- Molecular formula
- C25H15ClN2OS
- Molecular weight
- 426.9174
Names & synonyms
EINECS 268-468-07H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3(or 4)-[(4-chlorophenyl)thio]-11-methyl-68092-70-6DTXSID10710843(4)-((4-Chlorophenyl)thio)-11-methyl-7-oxo-7H-benzimidazo(2,1-a)benz(de)isoquinoline3(Or 4)-((4-chlorophenyl)thio)-11-methyl-7H-benzimidazo(2,1-a)benz(de)isoquinolin-7-one7H-Benzimidazo(2,1-a)benz(de)isoquinolin-7-one, 3(or 4)-((4-chlorophenyl)thio)-11-methyl-3(or 4)-[(4-chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-oneRefChem:547100DTXCID8045517268-468-097416-80-3
Show more names
PubChem ID: 3034849
3-((4-Chlorophenyl)thio)-11-methyl-7H-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one3-[(4-Chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one3-((4-Chlorophenyl)thio)-11-methyl-7H-benzimidazo(2,1-a)benz(de)isoquinolin-7-oneEINECS 306-828-1UQJPNWRXYFYENA-UHFFFAOYSA-NNS000364053-[(4-Chlorophenyl)sulfanyl]-11-methyl-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinolin-7-one
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 668
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3(or 4)-[(4-chlorophenyl)thio]-11-methyl-: INACTIVE
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Compound notes
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