Basic information
- Standard SMILES
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)C4CC4c4ccccc4)cc3)c2cc1OC- InChIKey
DPUSWRKXGBLQAP-UHFFFAOYSA-N- Molecular formula
- C28H25N3O4S
- Average molar mass
- 499.6 g/mol
Names & identifiers
- Preferred name
- N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-[(2-phenylcyclopropyl)carbonyl]thiourea
- IUPAC
- N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenylcyclopropane-1-carboxamide
Names & synonyms
SCHEMBL1872969DPUSWRKXGBLQAP-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-phenyl}-N'-[(2-phenylcyclopropyl)carbonyl]thioureaN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-[(2-phenylcyclopropyl)carbonyl]thiourea
Database identifiers
- PubChem CID
- 21890739
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 755
Related reactions
1 records
Compound notes
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