Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate
Basic information
- CAS
34008-40-7- Standard SMILES
CCOC(=O)C(C(=O)c1ccccc1)C(c1ccccc1)c1nccc2ccccc12- InChIKey
BBWZQZGGDBQMEA-UHFFFAOYSA-N- Molecular formula
- C27H23NO3
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.1677936
Names & identifiers
- Preferred name
- Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate
- IUPAC
- ethyl 2-benzoyl-3-isoquinolin-1-yl-3-phenylpropanoate
Names & synonyms
ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate34008-40-7MLS002920105NSC131481CHEMBL2137254DTXSID90299582NSC-131481SMR001797702
Database identifiers
- CAS
34008-40-7- PubChem CID
- 280091
- DTXSID
DTXSID90299582- ChEMBL
CHEMBL2137254
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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