Basic information
- Standard SMILES
O=C(NCc1cccs1)c1cccnc1SCCCc1ccccc1- InChIKey
LRXYIVDFJMSKCN-UHFFFAOYSA-N- Molecular formula
- C20H20N2OS2
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.10170561
Names & identifiers
- Preferred name
- 2-(3-phenyl-propylsulfanyl)-N-(thiophen-2-yl-methyl)-pyridine-3-carboxylic acid amide
- IUPAC
- 2-(3-phenylpropylsulfanyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
Names & synonyms
SCHEMBL2749474LRXYIVDFJMSKCN-UHFFFAOYSA-N2-(3-phenyl-propylsulfanyl)-N-(thiophen-2-yl-methyl)-pyridine-3-carboxylic acid amide
Database identifiers
- PubChem CID
- 46908730
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 401
Related reactions
3 records
Compound notes
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