Basic information
- Standard SMILES
COC(=O)c1nn(-c2cc3c(cc2F)OC(F)(F)C(F)(F)O3)cc(OC)c1=O- InChIKey
VUZPZVZKWXCHJR-UHFFFAOYSA-N- Molecular formula
- C15H9F5N2O6
- Average molar mass
- 408.23 g/mol
Names & identifiers
- Preferred name
- Methyl 5-methoxy-4-oxo-1-(2,2,3,3,7-pentafluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydropyridazine-3-carboxylate
- IUPAC
- methyl 5-methoxy-4-oxo-1-(2,2,3,3,6-pentafluoro-1,4-benzodioxin-7-yl)pyridazine-3-carboxylate
Names & synonyms
Methyl 5-methoxy-4-oxo-1-(2,2,3,3,7-pentafluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydropyridazine-3-carboxylateSCHEMBL518823
Database identifiers
- PubChem CID
- 59436286
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 742
Related reactions
11 records
Compound notes
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