4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-(thiophen-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
488826-87-5- Standard SMILES
Cc1cc(OCc2ccccc2)ccc1/C(O)=C1\C(=O)C(=O)N(CCCN2CCOCC2)C1c1cccs1- InChIKey
RVJXYDKKYUJUHC-BYCLXTJYSA-N- Molecular formula
- C30H32N2O5S
- Average molar mass
- 532.7 g/mol
- Monoisotopic mass
- 532.2031933
Names & identifiers
- Preferred name
- 4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-(thiophen-2-yl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
- English name
- 4-(4-(benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C30H32N2O5S
- Molecular weight
- 532.65
Names & synonyms
STK812335AKOS002192651AKOS0160650584-(4-(benzyloxy)-2-methylbenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-3-HYDROXY-1-[3-(4-MORPHOLINYL)PROPYL]-5-(2-THIENYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-(thiophen-2-yl)-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-4-[2-methyl-4-(phenylmethoxy)benzoyl]-1-[3-(4-morpholinyl)propyl]-5-(2-thienyl)-
Database identifiers
- CAS
488826-87-5- PubChem CID
- 5897484
- EC Number
- 134-917-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 854
Physicochemical properties
- Boiling point
- 754.3 · 754.3±60.0 °C(Predicted)
- Density
- 1.29 · 1.290±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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