Basic information
- CAS
371235-97-1- Standard SMILES
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccc(OC)c(OC)c2)c(C)c1- InChIKey
SQGZUPVNUHNGEZ-SHHOIMCASA-N- Molecular formula
- C28H34N2O7
- Average molar mass
- 510.6 g/mol
- Monoisotopic mass
- 510.23660143
Names & identifiers
- Preferred name
- 5-(3,4-Dimethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- English name
- 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C28H34N2O7
- Molecular weight
- 510.58
Names & synonyms
STK811219AKOS002193357AKOS0160561245-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one5-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-4-(4-METHOXY-2-METHYLBENZOYL)-1-[3-(4-MORPHOLINYL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE5-(3,4-dimethoxyphenyl)-3-hydroxy-4-[(4-methoxy-2-methylphenyl)carbonyl]-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(3,4-dimethoxyphenyl)-1,5-dihydro-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-[3-(4-morpholinyl)propyl]-
Database identifiers
- CAS
371235-97-1- PubChem CID
- 5777613
- EC Number
- 134-640-8
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 827
Physicochemical properties
- Boiling point
- 712.4 · 712.4±60.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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