2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfonyl]acridine

HCID 395401

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Basic information

CAS: 827303-18-4
Standard SMILES: COc1ccc2nc3ccc(OC)cc3c(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)c2c1
InChIKey: NLVWEJNTBSZBHX-UHFFFAOYSA-N
Molecular formula: C22H18N2O6S
Average molar mass: 438.5 g/mol
Monoisotopic mass: 438.08855747

Names & identifiers

Preferred name: 2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfonyl]acridine
IUPAC: 2,7-dimethoxy-9-[(4-nitrophenyl)methylsulfonyl]acridine

Names & synonyms

827303-18-4NSC6999372,7-Dimethoxy-9-((4-nitrobenzyl)sulfonyl)acridine2,7-dimethoxy-9-[(4-nitrophenyl)methylsulfonyl]acridineCHEMBL2000336DTXSID40327889NSC-699937NCI60_0358302,7-DIMETHOXY-9-[(4-NITROPHENYL)METHANESULFONYL]ACRIDINE9-((4-(Hydroxy(oxido)amino)benzyl)sulfonyl)-2,7-dimethoxyacridine

Database identifiers

CAS: 827303-18-4
PubChem CID: 395401
DTXSID: DTXSID40327889
ChEMBL: CHEMBL2000336

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 120 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 31
Formal charge: 0
Complexity: 699

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