Basic information
- Standard SMILES
COc1cc2nccc(Oc3ccc(NC(=S)NNC4CCCCC4)c(C)c3C)c2cc1OC- InChIKey
UFIOXLZQPAGWST-UHFFFAOYSA-N- Molecular formula
- C26H32N4O3S
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.21951207
Names & identifiers
- Preferred name
- N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,3-dimethylphenyl}-N'-(N-cyclohexylamino)thiourea
- IUPAC
- 1-(cyclohexylamino)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]thiourea
Names & synonyms
SCHEMBL5825084UFIOXLZQPAGWST-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,3-dimethylphenyl}-N'-(N-cyclohexylamino)thiourea
Database identifiers
- PubChem CID
- 21889878
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 650
Related reactions
2 records
Compound notes
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