5-(3-Bromophenyl)-4-(4-butoxy-2-methylbenzoyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
488734-73-2- Standard SMILES
CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2cccc(Br)c2)c(C)c1- InChIKey
KPKHVEBCIIGSNJ-IMVLJIQESA-N- Molecular formula
- C29H35BrN2O5
- Average molar mass
- 571.5 g/mol
- Monoisotopic mass
- 570.17293
Names & identifiers
- Preferred name
- 5-(3-Bromophenyl)-4-(4-butoxy-2-methylbenzoyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(3-bromophenyl)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- English name
- 5-(3-bromophenyl)-4-(4-butoxy-2-methylbenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C29H35BrN2O5
- Molecular weight
- 571.5
Names & synonyms
STK811724AKOS002191257AKOS0160564615-(3-bromophenyl)-4-(4-butoxy-2-methylbenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one5-(3-BROMOPHENYL)-4-(4-BUTOXY-2-METHYLBENZOYL)-3-HYDROXY-1-[3-(4-MORPHOLINYL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE5-(3-bromophenyl)-4-[(4-butoxy-2-methylphenyl)carbonyl]-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(3-bromophenyl)-4-(4-butoxy-2-methylbenzoyl)-1,5-dihydro-3-hydroxy-1-[3-(4-morpholinyl)propyl]-
Database identifiers
- CAS
488734-73-2- PubChem CID
- 6289577
- EC Number
- 134-691-6
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 814
Physicochemical properties
- Boiling point
- 724.4 · 724.4±60.0 °C(Predicted)
- Density
- 1.334 · 1.334±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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