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Basic information
- Standard SMILES
CCCCCCSc1nc(C(OCC)OCC)cc(C(F)(F)F)n1- InChIKey
MWURHYHBWFVSMG-UHFFFAOYSA-N- Molecular formula
- C16H25F3N2O2S
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.1588837
Names & identifiers
- Preferred name
- 4-Diethoxymethyl-2-hexylsulfanyl-6-trifluoromethyl-pyrimidine
- IUPAC
- 4-(diethoxymethyl)-2-hexylsulfanyl-6-(trifluoromethyl)pyrimidine
Names & synonyms
4-Diethoxymethyl-2-hexylsulfanyl-6-trifluoromethyl-pyrimidineSCHEMBL50490822-(hexylsulfanyl)-6-(trifluoromethyl)pyrimidine-4-carbaldehyde diethyl acetal
Database identifiers
- PubChem CID
- 69293298
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 329
Related reactions
1 records
Compound notes
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