Basic information
- Standard SMILES
O=C(NC1COc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1- InChIKey
YZMSKDBMMTURGA-UHFFFAOYSA-N- Molecular formula
- C18H14ClN3O3
- Average molar mass
- 355.8 g/mol
- Monoisotopic mass
- 355.072369
Names & identifiers
- Preferred name
- 5-chloro-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-1H-indole-2-carboxamide
- IUPAC
- 5-chloro-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-1H-indole-2-carboxamide
Database identifiers
- PubChem CID
- 10247644
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 532
Related reactions
1 records
Compound notes
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