Basic information
- CAS
616213-15-1- Standard SMILES
CCOc1cc(C2/C(=C(\O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O- InChIKey
SDWDZMUOZMJKJW-WJTDDFOZSA-N- Molecular formula
- C27H31FN2O7
- Average molar mass
- 514.5 g/mol
- Monoisotopic mass
- 514.21152949
Names & identifiers
- Preferred name
- 5-(3-Ethoxy-4-hydroxyphenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- English name
- 5-(3-Ethoxy-4-hydroxyphenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C27H31FN2O7
- Molecular weight
- 514.54
Names & synonyms
STK812735AKOS002195958AKOS0160608085-(3-ETHOXY-4-HYDROXYPHENYL)-4-(3-FLUORO-4-METHOXYBENZOYL)-3-HYDROXY-1-[3-(4-MORPHOLINYL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE5-(3-ethoxy-4-hydroxyphenyl)-4-[(3-fluoro-4-methoxyphenyl)carbonyl]-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(3-ethoxy-4-hydroxyphenyl)-4-(3-fluoro-4-methoxybenzoyl)-1,5-dihydro-3-hydroxy-1-[3-(4-morpholinyl)propyl]-
Database identifiers
- CAS
616213-15-1- PubChem CID
- 6139974
- EC Number
- 134-869-3
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 834
Physicochemical properties
- Boiling point
- 731.287 · 731.287±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.5 · 4.500±1.00(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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