Basic information
- CAS
488795-16-0- Standard SMILES
CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccc(C(C)(C)C)cc2)cc1C- InChIKey
PWWOIDQTPBRTJY-SJCQXOIGSA-N- Molecular formula
- C33H44N2O5
- Average molar mass
- 548.7 g/mol
- Monoisotopic mass
- 548.32502251
Names & identifiers
- Preferred name
- 4-(4-Butoxy-3-methylbenzoyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-5-(4-tert-butylphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- English name
- 4-(4-butoxy-3-methylbenzoyl)-5-(4-(tert-butyl)phenyl)-3-hydroxy-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C33H44N2O5
- Molecular weight
- 548.71
Names & synonyms
STK811408AKOS002189569AKOS0160562234-(4-butoxy-3-methylbenzoyl)-5-(4-(tert-butyl)phenyl)-3-hydroxy-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one4-(4-BUTOXY-3-METHYLBENZOYL)-5-(4-TERT-BUTYLPHENYL)-3-HYDROXY-1-[3-(4-MORPHOLINYL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE4-[(4-butoxy-3-methylphenyl)carbonyl]-5-(4-tert-butylphenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 4-(4-butoxy-3-methylbenzoyl)-5-[4-(1,1-dimethylethyl)phenyl]-1,5-dihydro-3-hydroxy-1-[3-(4-morpholinyl)propyl]-
Database identifiers
- CAS
488795-16-0- PubChem CID
- 5942657
- EC Number
- 134-662-8
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 882
Physicochemical properties
- Boiling point
- 717.6 · 717.6±60.0 °C(Predicted)
- Density
- 1.145 · 1.145±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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