Basic information
- Standard SMILES
COCc1cccc(C(=O)c2nc(OC)cc(OC)n2)c1NS(=O)(=O)C(F)F- InChIKey
BDVNEGPKPMCJHZ-UHFFFAOYSA-N- Molecular formula
- C16H17F2N3O6S
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.08061277
Names & identifiers
- Preferred name
- Na[2a(4,6aDimethoxypyrimidinea2acarbonyl)a6a (methoxymethyl)phenyl]a1,1a difluoromethanesulfonamide
- IUPAC
- N-[2-(4,6-dimethoxypyrimidine-2-carbonyl)-6-(methoxymethyl)phenyl]-1,1-difluoromethanesulfonamide
Names & synonyms
SCHEMBL13197932DTXSID901351809Na[2a(4,6aDimethoxypyrimidinea2acarbonyl)a6a (methoxymethyl)phenyl]a1,1a difluoromethanesulfonamide
Database identifiers
- PubChem CID
- 11618565
- DTXSID
DTXSID901351809
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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