Basic information
- CAS
496771-50-7- Standard SMILES
Cc1cc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccc(O)cc2)ccc1OCc1ccccc1- InChIKey
PGMAMVSYXRACIX-SJCQXOIGSA-N- Molecular formula
- C32H34N2O6
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.24168681
Names & identifiers
- Preferred name
- 4-[4-(benzyloxy)-3-methylbenzoyl]-3-hydroxy-5-(4-hydroxyphenyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- English name
- 4-(4-(benzyloxy)-3-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C32H34N2O6
- Molecular weight
- 542.62
Names & synonyms
STK811822AKOS002191594AKOS0160565844-(4-(benzyloxy)-3-methylbenzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one4-[4-(benzyloxy)-3-methylbenzoyl]-3-hydroxy-5-(4-hydroxyphenyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one4-{[4-(benzyloxy)-3-methylphenyl]carbonyl}-3-hydroxy-5-(4-hydroxyphenyl)-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-5-(4-hydroxyphenyl)-4-[3-methyl-4-(phenylmethoxy)benzoyl]-1-[3-(4-morpholinyl)propyl]-
Database identifiers
- CAS
496771-50-7- PubChem CID
- 5893751
- EC Number
- 134-723-9
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 888
Physicochemical properties
- Boiling point
- 781.9 · 781.9±60.0 °C(Predicted)
- Density
- 1.286 · 1.286±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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