Basic information
- CAS
608491-17-4- Standard SMILES
CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccccc2F)c(C)c1- InChIKey
DIHRIAOQZMGGTH-IMVLJIQESA-N- Molecular formula
- C29H35FN2O5
- Average molar mass
- 510.6 g/mol
- Monoisotopic mass
- 510.25300038
Names & identifiers
- Preferred name
- 4-(4-Butoxy-2-methylbenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Names & synonyms
STK811728AKOS002191308AKOS0160564674-(4-BUTOXY-2-METHYLBENZOYL)-5-(2-FLUOROPHENYL)-3-HYDROXY-1-[3-(4-MORPHOLINYL)PROPYL]-1,5-DIHYDRO-2H-PYRROL-2-ONE4-[(4-butoxy-2-methylphenyl)carbonyl]-5-(2-fluorophenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one
Database identifiers
- CAS
608491-17-4- PubChem CID
- 6242526
- EC Number
- 134-700-3
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 814
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…