Basic information
- Standard SMILES
CS(=O)(=O)NC(=O)CCCc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1- InChIKey
AUNRGXGPPNHZIF-UHFFFAOYSA-N- Molecular formula
- C25H23F3N4O4S2
- Average molar mass
- 564.6 g/mol
Names & identifiers
- Preferred name
- N-(4-{4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diaza-spiro[3,4]oct-5-yl]phenyl}-butanoyl)-methanesulfonamide
- IUPAC
- 4-[4-[7-[4-cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]phenyl]-N-methylsulfonylbutanamide
Names & synonyms
N-(4-{4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diaza-spiro[3,4]oct-5-yl]phenyl}-butanoyl)-methanesulfonamideSCHEMBL1715961SCHEMBL29508773N-(4-{4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diaza-spiro[3.4]oct-5-yl]phenyl}-butanoyl)-methanesulfonamideN{4-{4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diaza-spiro[3.4]oct-5-yl]phenyl}-butanoyl)-methanesulfonamide
Database identifiers
- PubChem CID
- 86643201
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
5 records
Compound notes
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