3-(4-cyano-5-ethylsulfonylamino-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione
Basic information
- Standard SMILES
CCS(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1C#N- InChIKey
GLYZQCITGRISHQ-UHFFFAOYSA-N- Molecular formula
- C15H12F4N4O4S
- Average molar mass
- 420.3 g/mol
Names & identifiers
- Preferred name
- 3-(4-cyano-5-ethylsulfonylamino-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- N-[2-cyano-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]ethanesulfonamide
Names & synonyms
3-(4-cyano-5-ethylsulfonylamino-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedioneSCHEMBL7212890
Database identifiers
- PubChem CID
- 11091077
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 842
Related reactions
7 records
Compound notes
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