2H-Pyrrol-2-one, 5-(3-chloro-4-ethoxyphenyl)-1-[4-(dimethylamino)phenyl]-1,5-dihydro-3-hydroxy-4-(4-propoxyphenyl)-
Basic information
- CAS
2121653-68-5- Standard SMILES
CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(N(C)C)cc3)C2c2ccc(OCC)c(Cl)c2)cc1- InChIKey
XXHNEIIKQGLJSL-UHFFFAOYSA-N- Molecular formula
- C29H31ClN2O4
- Average molar mass
- 507 g/mol
- Monoisotopic mass
- 506.1972352
Names & identifiers
- Preferred name
- 2H-Pyrrol-2-one, 5-(3-chloro-4-ethoxyphenyl)-1-[4-(dimethylamino)phenyl]-1,5-dihydro-3-hydroxy-4-(4-propoxyphenyl)-
- IUPAC
- 2-(3-chloro-4-ethoxyphenyl)-1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-propoxyphenyl)-2H-pyrrol-5-one
Names & synonyms
DTXSID8011065722121653-68-52H-Pyrrol-2-one, 5-(3-chloro-4-ethoxyphenyl)-1-[4-(dimethylamino)phenyl]-1,5-dihydro-3-hydroxy-4-(4-propoxyphenyl)-
Database identifiers
- CAS
2121653-68-5- PubChem CID
- 122829473
- DTXSID
DTXSID801106572
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 758
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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