Basic information
- Standard SMILES
CCSc1cc2ccc(COc3ccc4c(c3)C(=O)c3ccccc3CO4)nc2cc1Cl- InChIKey
CISSESJGULSDSW-UHFFFAOYSA-N- Molecular formula
- C26H20ClNO3S
- Average molar mass
- 462 g/mol
Names & identifiers
- Preferred name
- 2-(7-Chloro-6-ethylthioquinolin-2-yl)methoxy-11-oxo-6,11-dihydrodibenz[b,e]oxepine
- IUPAC
- 2-[(7-chloro-6-ethylsulfanylquinolin-2-yl)methoxy]-6H-benzo[c][1]benzoxepin-11-one
Names & synonyms
SCHEMBL7808136CISSESJGULSDSW-UHFFFAOYSA-N2-(7-Chloro-6-ethylthioquinolin-2-yl)methoxy-11-oxo-6,11-dihydrodibenz[b,e]oxepine
Database identifiers
- PubChem CID
- 23359231
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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