4-Acridinecarboxamide, N-(2-((2-hydroxyethyl)amino)ethyl)-9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-
Basic information
- CAS
91482-26-7- Standard SMILES
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NCCNCCO)cccc12- InChIKey
LUVAFPWCVYVHGO-UHFFFAOYSA-N- Molecular formula
- C26H29N5O5S
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.18894022
Names & identifiers
- Preferred name
- 4-Acridinecarboxamide, N-(2-((2-hydroxyethyl)amino)ethyl)-9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-
- IUPAC
- N-[2-(2-hydroxyethylamino)ethyl]-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide
Names & synonyms
4-Acridinecarboxamide, N-(2-((2-hydroxyethyl)amino)ethyl)-9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-91482-26-7CHEMBL292713DTXSID30238591N-(2-((2-Hydroxyethyl)amino)ethyl)-9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-4-acridinecarboxamideN-(2-((2-Hydroxyethyl)amino)ethyl)-9-((2-methyoxy-4-((methylsulfonyl)amino)phenyl)amino)4-acridinecarboxamideN-{2-[(2-Hydroxyethyl)amino]ethyl}-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide
Database identifiers
- CAS
91482-26-7- PubChem CID
- 150340
- DTXSID
DTXSID30238591- ChEMBL
CHEMBL292713- Nikkaji
- J325.554I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 840
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Compound notes
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