Basic information
- CAS
76708-55-9- Standard SMILES
CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12- InChIKey
NTXUJEYVGWIFBQ-UHFFFAOYSA-N- Molecular formula
- C23H22N4O4S
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.13617637
Names & identifiers
- Preferred name
- 4-Acridinecarboxamide, 9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-N-methyl-
- IUPAC
- 9-[4-(methanesulfonamido)-2-methoxyanilino]-N-methylacridine-4-carboxamide
- English name
- 4-Acridinecarboxamide, 9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)a mino)-N-methyl-
- Molecular formula
- C23H22N4O4S
- Molecular weight
- 450.51
Names & synonyms
76708-55-94-Acridinecarboxamide, 9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-N-methyl-9-[4-(methanesulfonamido)-2-methoxyanilino]-N-methylacridine-4-carboxamideCHEMBL276025SCHEMBL13529083DTXSID502275289-(4-methanesulfonylamino-2-methoxy-anilino)-acridine-4-carboxylic acid methylamide4-Acridinecarboxamide, 9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)a mino)-N-methyl-
Database identifiers
- CAS
76708-55-9- PubChem CID
- 149571
- DTXSID
DTXSID50227528- ChEMBL
CHEMBL276025- Nikkaji
- J85.421B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 758
Physicochemical properties
- Density
- 1.4 · 1.400±0.06 g/cm3(Predicted)
- pka
- 8.46 · 8.46±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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