Basic information
- Standard SMILES
CCOC(=O)CC(=O)NC1C(=O)N(CCOCc2ccccc2)c2ccccc2-c2ccccc21- InChIKey
HAFFCMVRKPKAIK-UHFFFAOYSA-N- Molecular formula
- C28H28N2O5
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.199822
Names & identifiers
- IUPAC
- ethyl 3-oxo-3-[[6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]amino]propanoate
Database identifiers
- PubChem CID
- 72478053
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 722
Related reactions
1 records
Compound notes
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