Basic information
- Standard SMILES
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)CCCCl)c(F)c3)c2cc1OC- InChIKey
DCKQKZDTMUFVMZ-UHFFFAOYSA-N- Molecular formula
- C22H21ClFN3O4S
- Average molar mass
- 477.9 g/mol
- Monoisotopic mass
- 477.0925332
Names & identifiers
- Preferred name
- N-(4-Chlorobutanoyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-fluorophenyl}thiourea
- IUPAC
- 4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]butanamide
Names & synonyms
SCHEMBL5825563DCKQKZDTMUFVMZ-UHFFFAOYSA-NN-(4-Chlorobutanoyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-fluorophenyl}thiourea
Database identifiers
- PubChem CID
- 21889960
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 634
Related reactions
1 records
Compound notes
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