5-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[(4-methoxy-2-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
497942-30-0- Standard SMILES
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)C1c1ccc(Br)cc1- InChIKey
WUSRTLZYVWEWNC-XTQSDGFTSA-N- Molecular formula
- C25H29BrN2O4
- Average molar mass
- 501.4 g/mol
- Monoisotopic mass
- 500.13107
Names & identifiers
- Preferred name
- 5-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[(4-methoxy-2-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]pyrrolidine-2,3-dione
- English name
- 5-(4-bromophenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C25H29BrN2O4
- Molecular weight
- 501.41
Names & synonyms
STK812134AKOS002192704AKOS0160643905-(4-bromophenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2(5H)-one5-(4-BROMOPHENYL)-1-[2-(DIETHYLAMINO)ETHYL]-3-HYDROXY-4-(4-METHOXY-2-METHYLBENZOYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE5-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-[(4-methoxy-2-methylphenyl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-
Database identifiers
- CAS
497942-30-0- PubChem CID
- 5903992
- EC Number
- 134-586-5
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 700
Physicochemical properties
- Boiling point
- 648.4 · 648.4±55.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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