Basic information
- CAS
488827-42-5- Standard SMILES
CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(CC)CC)C2c2ccccc2)cc1C- InChIKey
SFVRXDIGFWNFDP-SHHOIMCASA-N- Molecular formula
- C28H36N2O4
- Average molar mass
- 464.6 g/mol
- Monoisotopic mass
- 464.26750763
Names & identifiers
- Preferred name
- 4-[(4-butoxy-3-methylphenyl)carbonyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-phenylpyrrolidine-2,3-dione
- English name
- 4-(4-butoxy-3-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one
- Molecular formula
- C28H36N2O4
- Molecular weight
- 464.6
Names & synonyms
STK903494AKOS002196032AKOS0160608124-(4-butoxy-3-methylbenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one4-(4-butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one4-[(4-butoxy-3-methylphenyl)carbonyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-phenyl-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 4-(4-butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-5-phenyl-
Database identifiers
- CAS
488827-42-5- PubChem CID
- 5890569
- EC Number
- 134-868-8
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 711
Physicochemical properties
- Boiling point
- 640.2 · 640.2±55.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
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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