Basic information
- Standard SMILES
CC(C)CN1C(=O)[C@@H](CC(N)=O)O[C@H](c2ccccc2Cl)c2cc(Cl)ccc21- InChIKey
SENDRQWASIQDND-UYAOXDASSA-N- Molecular formula
- C21H22Cl2N2O3
- Average molar mass
- 421.3 g/mol
Names & identifiers
- Preferred name
- Trans-7-chloro-5-(2-chlorophenyl)-1-isobutyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetamide
- IUPAC
- 2-[(3R,5S)-7-chloro-5-(2-chlorophenyl)-1-(2-methylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetamide
Names & synonyms
SCHEMBL6954810SENDRQWASIQDND-UYAOXDASSA-NTrans-7-chloro-5-(2-chlorophenyl)-1-isobutyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetamide
Database identifiers
- PubChem CID
- 69946079
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 574
Related reactions
2 records
Compound notes
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