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Basic information
- Standard SMILES
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3Cl)c2cc1OC- InChIKey
WUFMHVGYQILNOB-UHFFFAOYSA-N- Molecular formula
- C26H20ClN3O6S
- Average molar mass
- 538 g/mol
Names & identifiers
- Preferred name
- N-(1,3-Benzodioxol-5-ylcarbonyl)-N'-{3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}thiourea
- IUPAC
- N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide
Names & synonyms
SCHEMBL5825446WUFMHVGYQILNOB-UHFFFAOYSA-NN-(1,3-Benzodioxol-5-ylcarbonyl)-N'-{3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}thiourea
Database identifiers
- PubChem CID
- 58738947
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 810
Related reactions
1 records
Compound notes
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