2-(4-Benzylsulfanyl-6-chloroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
55385-44-9- Standard SMILES
OCC1OC(n2cnc3c(SCc4ccccc4)nc(Cl)cc32)C(O)C1O- InChIKey
FQWSCZRLGQGNNY-UHFFFAOYSA-N- Molecular formula
- C18H18ClN3O4S
- Average molar mass
- 407.9 g/mol
- Monoisotopic mass
- 407.0706549
Names & identifiers
- Preferred name
- 2-(4-Benzylsulfanyl-6-chloroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(4-benzylsulfanyl-6-chloroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
55385-44-9NSC177370DTXSID40306533NSC-1773704-(benzylsulfanyl)-6-chloro-1-pentofuranosyl-1H-imidazo[4,5-c]pyridine
Database identifiers
- CAS
55385-44-9- PubChem CID
- 301112
- DTXSID
DTXSID40306533
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
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Compound notes
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