Basic information
- CAS
500270-93-9- Standard SMILES
CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(CC)CC)C2c2ccc(F)cc2)cc1C- InChIKey
IQBMLBHYZRZUQP-SHHOIMCASA-N- Molecular formula
- C28H35FN2O4
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.25808576
Names & identifiers
- Preferred name
- 4-[(4-butoxy-3-methylphenyl)carbonyl]-1-[2-(diethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-(4-fluorophenyl)pyrrolidine-2,3-dione
Names & synonyms
STK812746AKOS002196187AKOS0160608214-(4-butoxy-3-methylbenzoyl)-1-(2-(diethylamino)ethyl)-5-(4-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one4-(4-butoxy-3-methylbenzoyl)-1-[2-(diethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one4-[(4-butoxy-3-methylphenyl)carbonyl]-1-[2-(diethylamino)ethyl]-5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Database identifiers
- CAS
500270-93-9- PubChem CID
- 6242512
- EC Number
- 134-888-7
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 745
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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