Basic information
- CAS
488110-16-3- Standard SMILES
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)c(C)c2)C1c1ccc(Cl)c(Cl)c1- InChIKey
MVKJIAFWNISSOO-SHHOIMCASA-N- Molecular formula
- C28H34Cl2N2O4
- Average molar mass
- 533.5 g/mol
- Monoisotopic mass
- 532.189563
Names & identifiers
- Preferred name
- 5-(3,4-Dichlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione
- English name
- 5-(3,4-dichlorophenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C28H34Cl2N2O4
- Molecular weight
- 533.49
Names & synonyms
STK811932AKOS002191404AKOS0160564355-(3,4-dichlorophenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-1H-pyrrol-2(5H)-one5-(3,4-DICHLOROPHENYL)-1-[2-(DIETHYLAMINO)ETHYL]-3-HYDROXY-4-(4-ISOBUTOXY-3-METHYLBENZOYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-{[3-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-
Database identifiers
- CAS
488110-16-3- PubChem CID
- 5908033
- EC Number
- 134-756-9
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 800
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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