4-(6-Carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl trifluoromethanesulfonate
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Basic information
- Standard SMILES
Cc1nc(C)c(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)nc1C(N)=O- InChIKey
MGGFCIAGSCLERQ-UHFFFAOYSA-N- Molecular formula
- C14H12F3N3O4S
- Average molar mass
- 375.32 g/mol
- Monoisotopic mass
- 375.05006153
Names & identifiers
- Preferred name
- 4-(6-Carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl trifluoromethanesulfonate
- IUPAC
- [4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl] trifluoromethanesulfonate
Names & synonyms
4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl trifluoromethanesulfonateSCHEMBL2124807
Database identifiers
- PubChem CID
- 59627729
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 585
Related reactions
6 records
Compound notes
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