Furo(3,4-b)pyridine-3-carboxylic acid, 1,4,5,7-tetrahydro-2-methyl-5-oxo-4-(3-(trifluoromethyl)phenyl)-, ethyl ester
Basic information
- CAS
85825-46-3- Standard SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)OC2)C1c1cccc(C(F)(F)F)c1- InChIKey
QUVVTSKSOJPAPY-UHFFFAOYSA-N- Molecular formula
- C18H16F3NO4
- Average molar mass
- 367.3 g/mol
- Monoisotopic mass
- 367.10314248
Names & identifiers
- Preferred name
- Furo(3,4-b)pyridine-3-carboxylic acid, 1,4,5,7-tetrahydro-2-methyl-5-oxo-4-(3-(trifluoromethyl)phenyl)-, ethyl ester
- IUPAC
- ethyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
Names & synonyms
BRN 4272815Furo(3,4-b)pyridine-3-carboxylic acid, 1,4,5,7-tetrahydro-2-methyl-5-oxo-4-(3-(trifluoromethyl)phenyl)-, ethyl ester85825-46-3RefChem:345955SCHEMBL11002504QUVVTSKSOJPAPY-UHFFFAOYSA-NDTXSID701006399Ethyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydrofuro[3,4-b]pyridine-3-carboxylate
Database identifiers
- CAS
85825-46-3- PubChem CID
- 3070101
- DTXSID
DTXSID701006399
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 680
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Compound notes
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