Basic information
- Standard SMILES
CCOC(=O)COC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc21- InChIKey
KFWGLXWZAHASKF-UHFFFAOYSA-N- Molecular formula
- C29H29ClN2O5
- Average molar mass
- 521 g/mol
Names & identifiers
- Preferred name
- 5-ethoxycarbonylmethoxy-7-chloro-1-[4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine
- IUPAC
- ethyl 2-[[7-chloro-1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]acetate
Names & synonyms
SCHEMBL4685979KFWGLXWZAHASKF-UHFFFAOYSA-N5-ethoxycarbonylmethoxy-7-chloro-1-[4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine5-ethoxycarbonylmethoxy-7-chloro-1-[4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzo-azepine
Database identifiers
- PubChem CID
- 18917332
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 786
Related reactions
3 records
Compound notes
Loading…