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Basic information
- Standard SMILES
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)C4CC4c4ccccc4)cc3Cl)c2cc1OC- InChIKey
YYWHBEKYGOYONJ-UHFFFAOYSA-N- Molecular formula
- C28H24ClN3O4S
- Average molar mass
- 534 g/mol
Names & identifiers
- Preferred name
- N-{3-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N'-[(2-phenylcyclopropyl)carbonyl]thiourea
- IUPAC
- N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenylcyclopropane-1-carboxamide
Names & synonyms
SCHEMBL5825146YYWHBEKYGOYONJ-UHFFFAOYSA-NN-{3-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N'-[(2-phenylcyclopropyl)carbonyl]-thioureaN-{3-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N'-[(2-phenylcyclopropyl)carbonyl]thiourea
Database identifiers
- PubChem CID
- 21889869
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 799
Related reactions
1 records
Compound notes
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