Basic information
- CAS
497245-25-7- Standard SMILES
Cc1cc(OCc2ccccc2)ccc1/C(O)=C1\C(=O)C(=O)N(CCCN2CCOCC2)C1c1ccc(Cl)cc1Cl- InChIKey
ZVCMOLSQVBHVHS-SJCQXOIGSA-N- Molecular formula
- C32H32Cl2N2O5
- Average molar mass
- 595.5 g/mol
- Monoisotopic mass
- 594.1688275
Names & identifiers
- Preferred name
- 4-[4-(Benzyloxy)-2-methylbenzoyl]-5-(2,4-dichlorophenyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(2,4-dichlorophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
- English name
- 4-[4-(Benzyloxy)-2-methylbenzoyl]-5-(2,4-dichlorophenyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C32H32Cl2N2O5
- Molecular weight
- 595.51
Names & synonyms
STK812095AKOS002192390AKOS0160643404-(4-(benzyloxy)-2-methylbenzoyl)-5-(2,4-dichlorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-5-(2,4-DICHLOROPHENYL)-3-HYDROXY-1-[3-(4-MORPHOLINYL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-5-(2,4-dichlorophenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(2,4-dichlorophenyl)-1,5-dihydro-3-hydroxy-4-[2-methyl-4-(phenylmethoxy)benzoyl]-1-[3-(4-morpholinyl)propyl]-
Database identifiers
- CAS
497245-25-7- PubChem CID
- 5908026
- EC Number
- 134-810-1
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 935
Physicochemical properties
- Boiling point
- 768.559 · 768.559±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.5 · 4.500±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]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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