Basic information
- Standard SMILES
COc1ccc(C(=O)Cc2c(Cl)c[n+]([O-])cc2Cl)c2c1OCC1(COC1)CO2- InChIKey
ISQDJCUMAAWQEE-UHFFFAOYSA-N- Molecular formula
- C19H17Cl2NO6
- Average molar mass
- 426.2 g/mol
Names & identifiers
- Preferred name
- 2-(3,5-Dichloro-1-oxido-pyridin-4-yl)-1-{9-methoxy-spiro[2H-1,5-benzodioxepin-3(4H),3'-oxetane]-6-yl}ethanone
- IUPAC
- 2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)-1-(6-methoxyspiro[2,4-dihydro-1,5-benzodioxepine-3,3'-oxetane]-9-yl)ethanone
Names & synonyms
SCHEMBL3306064ISQDJCUMAAWQEE-UHFFFAOYSA-N2-(3,5-Dichloro-1-oxido-pyridin-4-yl)-1-{9-methoxy-spiro[2H-1,5-benzodioxepin-3(4H),3'-oxetane]-6-yl}ethanone
Database identifiers
- PubChem CID
- 25005169
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 565
Related reactions
2 records
Compound notes
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