Basic information
- Standard SMILES
COc1cc2nccc(Sc3ncc([N+](=O)[O-])s3)c2cc1OC- InChIKey
VPHBANWTTDYRKC-UHFFFAOYSA-N- Molecular formula
- C14H11N3O4S2
- Average molar mass
- 349.4 g/mol
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-4-(5-nitrothiazol-2-ylsulfanyl)quinoline
- IUPAC
- 2-(6,7-dimethoxyquinolin-4-yl)sulfanyl-5-nitro-1,3-thiazole
Names & synonyms
SCHEMBL1892053VPHBANWTTDYRKC-UHFFFAOYSA-NDB-1004516,7-Dimethoxy-4-(5-nitrothiazol-2-ylsulfanyl)quinoline417722-26-0
Database identifiers
- PubChem CID
- 22936719
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Related reactions
10 records
Compound notes
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