Basic information
- Standard SMILES
CCOC(=O)CC(=O)N1CCc2ccc(OCc3cccc(F)c3)cc2CC1- InChIKey
NPDOFBFZRLBBBK-UHFFFAOYSA-N- Molecular formula
- C22H24FNO4
- Average molar mass
- 385.4 g/mol
Names & identifiers
- Preferred name
- 3-[7-(3-Fluoro-benzyloxy)-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl]-3-oxo-propionic acid ethyl ester
- IUPAC
- ethyl 3-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-3-oxopropanoate
Names & synonyms
SCHEMBL5042194NPDOFBFZRLBBBK-UHFFFAOYSA-N3-[7-(3-Fluoro-benzyloxy)-1,2,4,5-tetrahydro-benzo [d]azepin-3-yl]-3-oxo-propionic acid ethyl ester3-[7-(3-Fluoro-benzyloxy)-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl]-3-oxo-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 69290734
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 529
Related reactions
1 records
Compound notes
Loading…