Basic information
- Standard SMILES
COc1cc2c(Nc3cc(O)c(C)cc3F)cnnc2cc1OCc1csc(C)n1- InChIKey
HGAXCWYCCKEHHW-UHFFFAOYSA-N- Molecular formula
- C21H19FN4O3S
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- 4-Fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]cinnolin-4-yl]amino]-2-methylphenol
- IUPAC
- 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]cinnolin-4-yl]amino]-2-methylphenol
Names & synonyms
SCHEMBL6097920ZINC01487314
Database identifiers
- PubChem CID
- 21991029
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 564
Related reactions
1 records
Compound notes
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