Basic information
- Standard SMILES
COc1ccc(C(=O)Cc2c(Cl)c[n+]([O-])cc2Cl)c2c1OCC1(COCOC1)CO2- InChIKey
BGTNVCUFUYZLCF-UHFFFAOYSA-N- Molecular formula
- C20H19Cl2NO7
- Average molar mass
- 456.3 g/mol
Names & identifiers
- Preferred name
- 2-(3,5-Dichloro-1-oxido-pyridine-4-yl)-1-{9-methoxy-spiro[2H-1,5-benzodioxepin-3(4H),5'-[1,3]dioxane]-6-yl}ethanone
- IUPAC
- 2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)-1-(6'-methoxyspiro[1,3-dioxane-5,3'-2,4-dihydro-1,5-benzodioxepine]-9'-yl)ethanone
Names & synonyms
SCHEMBL3305242BGTNVCUFUYZLCF-UHFFFAOYSA-N2-(3,5-Dichloro-1-oxido-pyridine-4-yl)-1-{9-methoxy-spiro[2H-1,5-benzodioxepin-3(4H),5'-[1,3]dioxane]-6-yl}ethanone
Database identifiers
- PubChem CID
- 25006262
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 594
Related reactions
2 records
Compound notes
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