Basic information
- CAS
440090-15-3- Standard SMILES
COc1ccc(C2/C(=C(/O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1- InChIKey
AAVSUZXGSYDHRX-LCUIJRPUSA-N- Molecular formula
- C28H33N3O8S
- Average molar mass
- 571.6 g/mol
- Monoisotopic mass
- 571.19883619
Names & identifiers
- Preferred name
- 3-hydroxy-5-(4-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-4-[4-(4-morpholinylsulfonyl)benzoyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4Z)-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
- English name
- 3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-4-(4-(morpholinosulfonyl)benzoyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C28H33N3O8S
- Molecular weight
- 571.64
Names & synonyms
SMR000620084Oprea1_199142MLS000923727MLS003878470HMS2908G05SR-01000487516SR-01000487516-13-hydroxy-5-(4-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-4-[4-(4-morpholinylsulfonyl)benzoyl]-1,5-dihydro-2H-pyrrol-2-one3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-4-(4-(morpholinosulfonyl)benzoyl)-1H-pyrrol-2(5H)-one2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-5-(4-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-4-[4-(4-morpholinylsulfonyl)benzoyl]-
Database identifiers
- CAS
440090-15-3- PubChem CID
- 23909007
- EC Number
- 124-855-5
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Boiling point
- 793.2 · 793.2±70.0 °C(Predicted)
- Density
- 1.373 · 1.373±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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