Basic information
- CAS
608119-40-0- Standard SMILES
C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(CC)CC)C2c2ccc(OC)cc2)cc1C- InChIKey
DGHFUVKPOZTCFI-SHHOIMCASA-N- Molecular formula
- C28H34N2O5
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.24677219
Names & identifiers
- Preferred name
- 4-[4-(allyloxy)-3-methylbenzoyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
- English name
- 4-(4-(allyloxy)-3-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(4-methoxyphenyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C28H34N2O5
- Molecular weight
- 478.58
Names & synonyms
STK811035AKOS001669163AKOS0160581911-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-methoxyphenyl)-4-{[3-methyl-4-(prop-2-en-1-yloxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one4-[4-(allyloxy)-3-methylbenzoyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one4-(4-(allyloxy)-3-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(4-methoxyphenyl)-1H-pyrrol-2(5H)-one2H-Pyrrol-2-one, 1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-5-(4-methoxyphenyl)-4-[3-methyl-4-(2-propen-1-yloxy)benzoyl]-
Database identifiers
- CAS
608119-40-0- PubChem CID
- 6270959
- EC Number
- 134-608-3
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 769
Physicochemical properties
- Boiling point
- 662.9 · 662.9±55.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±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]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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