2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine
Basic information
- CAS
827303-17-3- Standard SMILES
COc1ccc2nc3ccc(OC)cc3c(S(=O)Cc3ccc([N+](=O)[O-])cc3)c2c1- InChIKey
CITQWVKNUSPDGX-UHFFFAOYSA-N- Molecular formula
- C22H18N2O5S
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.09364285
Names & identifiers
- Preferred name
- 2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine
- IUPAC
- 2,7-dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine
Names & synonyms
NSC699936827303-17-32,7-Dimethoxy-9-((4-nitrobenzyl)sulfinyl)acridine2,7-dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridineCHEMBL1982424DTXSID80327888NSC-699936NCI60_0358292,7-DIMETHOXY-9-[(4-NITROPHENYL)METHANESULFINYL]ACRIDINE9-((4-(Hydroxy(oxido)amino)benzyl)sulfinyl)-2,7-dimethoxyacridine
Database identifiers
- CAS
827303-17-3- PubChem CID
- 395400
- DTXSID
DTXSID80327888- ChEMBL
CHEMBL1982424
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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