Basic information
- CAS
497942-92-4- Standard SMILES
CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(CC)CC)C2c2ccc(OCC)c(OC)c2)cc1C- InChIKey
DOJTYAULDQRZPV-ORIPQNMZSA-N- Molecular formula
- C31H42N2O6
- Average molar mass
- 538.7 g/mol
- Monoisotopic mass
- 538.30428706
Names & identifiers
- Preferred name
- 4-(4-Butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)pyrrolidine-2,3-dione
- English name
- 4-(4-butoxy-3-methylbenzoyl)-1-(2-(diethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
- Molecular formula
- C31H42N2O6
- Molecular weight
- 538.67
Names & synonyms
STK812750AKOS002196257AKOS0160608254-(4-butoxy-3-methylbenzoyl)-1-(2-(diethylamino)ethyl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one4-(4-BUTOXY-3-METHYLBENZOYL)-1-[2-(DIETHYLAMINO)ETHYL]-5-(4-ETHOXY-3-METHOXYPHENYL)-3-HYDROXY-1,5-DIHYDRO-2H-PYRROL-2-ONE4-[(4-butoxy-3-methylphenyl)carbonyl]-1-[2-(diethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 4-(4-butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-1,5-dihydro-3-hydroxy-
Database identifiers
- CAS
497942-92-4- PubChem CID
- 5920719
- EC Number
- 134-895-5
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 828
Physicochemical properties
- Boiling point
- 687.5 · 687.5±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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