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Basic information
- Standard SMILES
COc1c(C(=O)C=Cc2ccc(Cl)c(Cl)c2)c(OCCN(C)C)c(OC)c2occc12- InChIKey
RVRGOLDKMPNVNM-UHFFFAOYSA-N- Molecular formula
- C23H23Cl2NO5
- Average molar mass
- 464.3 g/mol
- Monoisotopic mass
- 463.0953282
Names & identifiers
- Preferred name
- 3-(3,4-Dichlorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]prop-2-en-1-one
- IUPAC
- 3-(3,4-dichlorophenyl)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]prop-2-en-1-one
Database identifiers
- PubChem CID
- 33453
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 619
Related reactions
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Compound notes
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