Basic information
- Standard SMILES
CCOC(=O)C(C)(C)C(=O)N[C@@H]1C(=O)N(CCOCc2ccccc2)c2ccccc2-c2ccccc21- InChIKey
IHWAEIHJGOIJBO-SANMLTNESA-N- Molecular formula
- C30H32N2O5
- Average molar mass
- 500.6 g/mol
- Monoisotopic mass
- 500.23112213
Names & identifiers
- Preferred name
- N-[(S)-5-(2-Benzyloxy-ethyl)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-2,2-dimethyl-malonamic acid ethyl ester
- IUPAC
- ethyl 2,2-dimethyl-3-oxo-3-[[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]amino]propanoate
Names & synonyms
SCHEMBL5106139IHWAEIHJGOIJBO-SANMLTNESA-NN-[(S)-5-(2-Benzyloxy-ethyl)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-2,2-dimethyl-malonamic acid ethyl ester
Database identifiers
- PubChem CID
- 58972525
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 793
Related reactions
2 records
Compound notes
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