Emd 41717
Basic information
- CAS
86073-87-2- Standard SMILES
Cn1cnc2ccnc(SCc3csc4ccccc34)c21- InChIKey
XLZNELHFDFPOST-UHFFFAOYSA-N- Molecular formula
- C16H13N3S2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.05508977
Overview
structure given in first source
Names & identifiers
- Preferred name
- Emd 41717
- IUPAC
- 4-(1-benzothiophen-3-ylmethylsulfanyl)-3-methylimidazo[4,5-c]pyridine
Names & synonyms
Emd 41717Emd-417173H-Imidazo(4,5-c)pyridine, 4-((benzo(b)thien-3-ylmethyl)thio)-3-methyl-86073-87-2DTXSID60235391RefChem:136597DTXCID60157882(4-(1-Benzothiophen-3-yl-methylthio)-3-methyl-3H-imidazo(4,5-c)pyridine)4-{[(1-benzothiophen-3-yl)methyl]sulfanyl}-3-methyl-3H-imidazo[4,5-c]pyridine
Database identifiers
- CAS
86073-87-2- PubChem CID
- 135147
- DTXSID
DTXSID60235391- Nikkaji
- J22.191K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
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Related reactions
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Compound notes
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