Basic information
- CAS
442525-17-9- Standard SMILES
CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccc(OC)c(OC)c2)cc1C- InChIKey
YHSWVKBMADWSQS-IMVLJIQESA-N- Molecular formula
- C29H36N2O7
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.25225149
Names & identifiers
- Preferred name
- 5-(3,4-Dimethoxyphenyl)-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(3,4-dimethoxyphenyl)-4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- English name
- 5-(3,4-Dimethoxyphenyl)-4-(4-ethoxy-3-methylbenzoyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C29H36N2O7
- Molecular weight
- 524.61
Names & synonyms
STK810288AKOS001640341AKOS0162936635-(3,4-DIMETHOXYPHENYL)-4-(4-ETHOXY-3-METHYLBENZOYL)-3-HYDROXY-1-[3-(4-MORPHOLINYL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE5-(3,4-dimethoxyphenyl)-4-[(4-ethoxy-3-methylphenyl)carbonyl]-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(3,4-dimethoxyphenyl)-4-(4-ethoxy-3-methylbenzoyl)-1,5-dihydro-3-hydroxy-1-[3-(4-morpholinyl)propyl]-
Database identifiers
- CAS
442525-17-9- PubChem CID
- 6139992
- EC Number
- 134-410-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 843
Physicochemical properties
- Boiling point
- 714.846 · 714.846±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.228 · 1.228±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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