Basic information
- Standard SMILES
CCSc1ccccc1-c1nc2cc(C(F)(F)F)cnc2n1C- InChIKey
HXWANAHZJOONJR-UHFFFAOYSA-N- Molecular formula
- C16H14F3N3S
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.08605312
Names & identifiers
- Preferred name
- 2-(2-ethylsulfanylphenyl)-3-methyl-6-trifluoromethyl-3H-imidazo[4,5-b]pyridine
- IUPAC
- 2-(2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
Names & synonyms
2-(2-ethylsulfanylphenyl)-3-methyl-6-trifluoromethyl-3H-imidazo[4,5-b]pyridineSCHEMBL15411967
Database identifiers
- PubChem CID
- 86708191
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
5 records
Compound notes
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