Basic information
- CAS
709662-43-1- Standard SMILES
CCOc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1- InChIKey
ZILJLDOYZXVUAK-UHFFFAOYSA-N- Molecular formula
- C28H30N4O3
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.23179083
Names & identifiers
- Preferred name
- 2-Cyano-3-[2,5-dimethyl-1-[4-(4-morpholinyl)phenyl]-1H-pyrrol-3-yl]-N-(3-ethoxyphenyl)-2-propenamide
- IUPAC
- 2-cyano-3-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-N-(3-ethoxyphenyl)prop-2-enamide
Names & synonyms
DTXSID7011139902-Cyano-3-[2,5-dimethyl-1-[4-(4-morpholinyl)phenyl]-1H-pyrrol-3-yl]-N-(3-ethoxyphenyl)-2-propenamide709662-43-12-Cyano-3-{2,5-dimethyl-1-[4-(morpholin-4-yl)phenyl]-1H-pyrrol-3-yl}-N-(3-ethoxyphenyl)prop-2-enamide
Database identifiers
- CAS
709662-43-1- PubChem CID
- 4567705
- DTXSID
DTXSID701113990
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 778
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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