Basic information
- Standard SMILES
COC(=O)c1ccncc1SCCC(F)(F)c1ccc(F)cc1- InChIKey
MTQKWVFKSDLXHO-UHFFFAOYSA-N- Molecular formula
- C16H14F3NO2S
- Average molar mass
- 341.3 g/mol
Names & identifiers
- Preferred name
- 3-[[3,3-Difluoro-3-(4-fluorophenyl)-propyl]sulfanyl]-pyridine-4-carboxylic acid methyl ester
- IUPAC
- methyl 3-[3,3-difluoro-3-(4-fluorophenyl)propyl]sulfanylpyridine-4-carboxylate
Names & synonyms
3-[[3,3-difluoro-3-(4-fluorophenyl)-propyl]sulfanyl]-pyridine-4-carboxylic acid methyl esterSCHEMBL15739054
Database identifiers
- PubChem CID
- 86720165
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 390
Related reactions
2 records
Compound notes
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