Basic information
- Standard SMILES
CCN(CC)CCCNC(=S)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C- InChIKey
HBJOKVNFTGHTJO-UHFFFAOYSA-N- Molecular formula
- C27H36N4O3S
- Average molar mass
- 496.7 g/mol
- Monoisotopic mass
- 496.2508122
Names & identifiers
- Preferred name
- N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,5-dimethylphenyl}-N'-(3-diethylaminopropyl)thiourea
- IUPAC
- 1-[3-(diethylamino)propyl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]thiourea
Names & synonyms
SCHEMBL5824901HBJOKVNFTGHTJO-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,5-dimethylphenyl}-N'-(3-diethylaminopropyl)thiourea
Database identifiers
- PubChem CID
- 21890841
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 638
Related reactions
1 records
Compound notes
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