4-(4-Butoxy-3-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
383901-92-6- Standard SMILES
CCCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)C2c2ccc(OC)c(OC)c2)cc1C- InChIKey
PRRDEDAHGJPFTO-BYCLXTJYSA-N- Molecular formula
- C30H32N2O6
- Average molar mass
- 516.6 g/mol
- Monoisotopic mass
- 516.22603674
Names & identifiers
- Preferred name
- 4-(4-Butoxy-3-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Names & synonyms
AKOS002166393AKOS0162927004-(4-BUTOXY-3-METHYLBENZOYL)-5-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE4-(4-butoxy-3-methylbenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
Database identifiers
- CAS
383901-92-6- PubChem CID
- 5867599
- EC Number
- 134-461-5
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 847
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…