ethyl 6-amino-5-cyano-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylate
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Basic information
- CAS
438617-05-1- Standard SMILES
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)c(COCC(F)(F)F)c1- InChIKey
QGNYNCAJLZBPAC-UHFFFAOYSA-N- Molecular formula
- C20H21F3N2O5
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.14025626
Names & identifiers
- Preferred name
- ethyl 6-amino-5-cyano-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylate
- IUPAC
- ethyl 6-amino-5-cyano-4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-2-methyl-4H-pyran-3-carboxylate
- English name
- ethyl 6-amino-5-cyano-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylate
- Molecular formula
- C20H21F3N2O5
- Molecular weight
- 426.3863496
Names & synonyms
ethyl 6-amino-5-cyano-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylate438617-05-1AKOS040852563ethyl 6-amino-5-cyano-4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-2-methyl-4H-pyran-3-carboxylateAK-968/12121945
Database identifiers
- CAS
438617-05-1- PubChem CID
- 3712037
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 753
Related reactions
0 records
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Compound notes
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