2-((4-Methoxybenzyl)thio)-3-(2-thienyl)quinoxaline
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Basic information
- Standard SMILES
COc1ccc(CSc2nc3ccccc3nc2-c2cccs2)cc1- InChIKey
DTCCLDXTFMAPPW-UHFFFAOYSA-N- Molecular formula
- C20H16N2OS2
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.07040549
Names & identifiers
- Preferred name
- 2-((4-Methoxybenzyl)thio)-3-(2-thienyl)quinoxaline
- IUPAC
- 2-[(4-methoxyphenyl)methylsulfanyl]-3-thiophen-2-ylquinoxaline
Names & synonyms
NSC6527692-((4-Methoxybenzyl)thio)-3-(2-thienyl)quinoxalineCHEMBL1999927NSC-652769NCI60_0184582-[(4-methoxyphenyl)methylsulfanyl]-3-(2-thienyl)quinoxalineMethyl 4-(((3-(2-thienyl)-2-quinoxalinyl)thio)methyl)phenyl ether
Database identifiers
- PubChem CID
- 374669
- ChEMBL
CHEMBL1999927- Nikkaji
- J779.669B
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 417
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Compound notes
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