N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-fluorophenyl}-N'-(4-methoxybenzoyl)thiourea
Basic information
- Standard SMILES
COc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2F)cc1- InChIKey
GAUVZJSWZMUMFP-UHFFFAOYSA-N- Molecular formula
- C26H22FN3O5S
- Average molar mass
- 507.5 g/mol
- Monoisotopic mass
- 507.12642015
Names & identifiers
- Preferred name
- N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-fluorophenyl}-N'-(4-methoxybenzoyl)thiourea
- IUPAC
- N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-4-methoxybenzamide
Names & synonyms
SCHEMBL5825301GAUVZJSWZMUMFP-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-fluorophenyl}-N'-(4-methoxybenzoyl)thiourea
Database identifiers
- PubChem CID
- 21891111
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 740
Related reactions
1 records
Compound notes
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