2-((3-Pyridinylmethyl)thio)-3-(2-thienyl)quinoxaline
Basic information
- Standard SMILES
c1cncc(CSc2nc3ccccc3nc2-c2cccs2)c1- InChIKey
GHSYUXKAUPPTSS-UHFFFAOYSA-N- Molecular formula
- C18H13N3S2
- Average molar mass
- 335.5 g/mol
- Monoisotopic mass
- 335.05508977
Names & identifiers
- Preferred name
- 2-((3-Pyridinylmethyl)thio)-3-(2-thienyl)quinoxaline
- IUPAC
- 2-(pyridin-3-ylmethylsulfanyl)-3-thiophen-2-ylquinoxaline
Names & synonyms
NSC6527662-((3-Pyridinylmethyl)thio)-3-(2-thienyl)quinoxalineCHEMBL1979224NSC-652766NCI60_0184552-(3-pyridylmethylsulfanyl)-3-(2-thienyl)quinoxaline3-Pyridinylmethyl 3-(2-thienyl)-2-quinoxalinyl sulfide
Database identifiers
- PubChem CID
- 374666
- ChEMBL
CHEMBL1979224- Nikkaji
- J779.666H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…