Basic information
- Standard SMILES
CC1=C(C#N)C(c2ccc(C#N)cc2S(=O)(=O)CCC(F)(F)F)N(C)C(=O)N1c1cccc(C(F)(F)F)c1- InChIKey
FUCZJHQMNSUWKO-UHFFFAOYSA-N- Molecular formula
- C24H18F6N4O3S
- Average molar mass
- 556.5 g/mol
Names & identifiers
- Preferred name
- 4-[4-cyano-2-(3,3,3-trifluoropropylsulfonyl)phenyl]-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile
- IUPAC
- 4-[4-cyano-2-(3,3,3-trifluoropropylsulfonyl)phenyl]-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL3720991FUCZJHQMNSUWKO-UHFFFAOYSA-N4-[4-cyano-2-(3,3,3-trifluoropropylsulfonyl)phenyl]-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 87564227
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
1 records
Compound notes
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