Basic information
- CAS
664984-91-2- Standard SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(COc2ccc(F)cc2F)o1- InChIKey
FUFSUZHHVINLBE-UHFFFAOYSA-N- Molecular formula
- C26H27F2NO5
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.18572929
Names & identifiers
- Preferred name
- Ethyl 4-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- IUPAC
- ethyl 4-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- English name
- ethyl 4-{5-[(2,4-difluorophenoxy)methyl]-2-furyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- Molecular formula
- C26H27F2NO5
- Molecular weight
- 471.4930864
Names & synonyms
Oprea1_819101AK-968/41021522AKOS024299565ethyl 4-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylateethyl 4-{5-[(2,4-difluorophenoxy)methyl]-2-furyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateethyl 4-{5-[(2,4-difluorophenoxy)methyl]furan-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Database identifiers
- CAS
664984-91-2- PubChem CID
- 4058072
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 882
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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