Basic information
- Standard SMILES
O=C(NCc1cccs1)c1ccc(F)nc1SCCCc1ccccc1- InChIKey
BSGZQRJWXUYUPH-UHFFFAOYSA-N- Molecular formula
- C20H19FN2OS2
- Average molar mass
- 386.5 g/mol
Names & identifiers
- Preferred name
- 6-fluoro-2-(3-phenylpropylthio)-N-(thiophen-2-ylmethyl)pyridine-3-carboxylic acid amide
- IUPAC
- 6-fluoro-2-(3-phenylpropylsulfanyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
Names & synonyms
SCHEMBL2750100BSGZQRJWXUYUPH-UHFFFAOYSA-N6-fluoro-2-(3-phenylpropylthio)-N-(thiophen-2-ylmethyl) -pyridine-3-carboxylic acid amide6-fluoro-2-(3-phenylpropylthio)-N-(thiophen-2-ylmethyl)-pyridine-3-carboxylic acid amide6-fluoro-2-(3-phenylpropylthio)-N-(thiophen-2-ylmethyl)pyridine-3-carboxylic acid amide
Database identifiers
- PubChem CID
- 59487302
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 434
Related reactions
6 records
Compound notes
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