Completing data — usually done within a minute
Basic information
- CAS
1259023-38-5- Standard SMILES
COC(=O)Cc1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(F)c1- InChIKey
GOKLJKMQGQSHSX-UHFFFAOYSA-N- Molecular formula
- C22H20FN3O3
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.14886972
Names & identifiers
- Preferred name
- Methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorobiphenyl-4-yl)acetate
- IUPAC
- methyl 2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]-3-fluorophenyl]acetate
Names & synonyms
SCHEMBL2126270GOKLJKMQGQSHSX-UHFFFAOYSA-NDTXSID601112456methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorobiphenyl-4-yl)acetate1259023-38-5Methyl [4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluoro[1,1'-biphenyl]-4-yl]acetate[1,1a(2)-Biphenyl]-4-acetic acid, 4a(2)-[6-(aminocarbonyl)-3,5-dimethyl-2-pyrazinyl]-2-fluoro-, methyl ester
Database identifiers
- CAS
1259023-38-5- PubChem CID
- 59627677
- DTXSID
DTXSID601112456
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 582
Related reactions
4 records
Compound notes
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