Basic information
- Standard SMILES
CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C)c3)C(=O)C23CCCC3)cc1F- InChIKey
KQCYLVRSFOSILF-UHFFFAOYSA-N- Molecular formula
- C22H20FN5O2S
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.13217423
Names & identifiers
- Preferred name
- 4-(3-(6-cyano-5-methylpyridin-3-yl)-4-oxo-2-thioxo-1,3-diazaspiro[4.4]nonan-1-yl)-2-fluoro-N-methylbenzamide
- IUPAC
- 4-[3-(6-cyano-5-methyl-3-pyridinyl)-4-oxo-2-sulfanylidene-1,3-diazaspiro[4.4]nonan-1-yl]-2-fluoro-N-methylbenzamide
Names & synonyms
SCHEMBL2362464KQCYLVRSFOSILF-UHFFFAOYSA-N4-(3-(6-cyano-5-methylpyridin-3-yl)-4-oxo-2-thioxo-1,3-diazaspiro[4.4]nonan-1-yl)-2-fluoro-N-methylbenzamide
Database identifiers
- PubChem CID
- 53373084
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 807
Related reactions
1 records
Compound notes
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