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Basic information
- Standard SMILES
C=C(C(=O)O)c1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2F)c(Cl)c1- InChIKey
NVKOJKCFIZFAGN-UHFFFAOYSA-N- Molecular formula
- C22H17ClFN3O3
- Average molar mass
- 425.8 g/mol
- Monoisotopic mass
- 425.0942473
Names & identifiers
- Preferred name
- 2-[4-[4-(6-Carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorophenyl]-3-chlorophenyl]prop-2-enoic acid
- IUPAC
- 2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorophenyl]-3-chlorophenyl]prop-2-enoic acid
Names & synonyms
SCHEMBL2125412NVKOJKCFIZFAGN-UHFFFAOYSA-N2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorophenyl]-3-chlorophenyl]prop-2-enoic acid
Database identifiers
- PubChem CID
- 59627633
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 678
Related reactions
1 records
Compound notes
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