Basic information
- CAS
1259023-32-9- Standard SMILES
COC(=O)Cc1cc(F)c(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(F)c1- InChIKey
XYIYYNPIEALFPE-UHFFFAOYSA-N- Molecular formula
- C22H19F2N3O3
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.13944791
Names & identifiers
- Preferred name
- Methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2,6-difluorobiphenyl-4-yl)acetate
- IUPAC
- methyl 2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]-3,5-difluorophenyl]acetate
Names & synonyms
SCHEMBL2124770XYIYYNPIEALFPE-UHFFFAOYSA-NDTXSID601110155methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2,6-difluorobiphenyl-4-yl)acetate1259023-32-9[1,1a(2)-Biphenyl]-4-acetic acid, 4a(2)-[6-(aminocarbonyl)-3,5-dimethyl-2-pyrazinyl]-2,6-difluoro-, methyl ester
Database identifiers
- CAS
1259023-32-9- PubChem CID
- 59627664
- DTXSID
DTXSID601110155
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 602
Related reactions
4 records
Compound notes
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