Basic information
- CAS
488860-00-0- Standard SMILES
Cc1cc(OCC(C)C)ccc1/C(O)=C1\C(=O)C(=O)N(CCCN2CCOCC2)C1c1ccc(Cl)c(Cl)c1- InChIKey
UKLVMUDCRJDTDT-IMVLJIQESA-N- Molecular formula
- C29H34Cl2N2O5
- Average molar mass
- 561.5 g/mol
- Monoisotopic mass
- 560.1844776
Names & identifiers
- Preferred name
- 5-(3,4-dichlorophenyl)-3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(3,4-dichlorophenyl)-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- English name
- 5-(3,4-dichlorophenyl)-3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C29H34Cl2N2O5
- Molecular weight
- 561.5
Names & synonyms
STK811605AKOS002191252AKOS0160566425-(3,4-dichlorophenyl)-3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one5-(3,4-dichlorophenyl)-3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one5-(3,4-dichlorophenyl)-3-hydroxy-4-{[2-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(3,4-dichlorophenyl)-1,5-dihydro-3-hydroxy-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-1-[3-(4-morpholinyl)propyl]-
Database identifiers
- CAS
488860-00-0- PubChem CID
- 6284759
- EC Number
- 134-675-9
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 862
Physicochemical properties
- Boiling point
- 727.3 · 727.3±60.0 °C(Predicted)
- Density
- 1.286 · 1.286±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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