Basic information
- CAS
206662-19-3- Standard SMILES
N#CCN1C(=O)N(Cc2cccc(F)c2)S(=O)(=O)c2cscc21- InChIKey
FDCBGLBKYVKOHT-UHFFFAOYSA-N- Molecular formula
- C14H10FN3O3S2
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.0147617
Names & identifiers
- Preferred name
- 4H-Thieno(3,4-e)-1,2,4-thiadiazine-4-acetonitrile, 2-((3-fluorophenyl)methyl)-2,3-dihydro-3-oxo-, 1,1-dioxide
- IUPAC
- 2-[2-[(3-fluorophenyl)methyl]-1,1,3-trioxothieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile
Names & synonyms
QM96639206662-19-34H-Thieno(3,4-e)-1,2,4-thiadiazine-4-acetonitrile, 2-((3-fluorophenyl)methyl)-2,3-dihydro-3-oxo-, 1,1-dioxideDTXSID901747092-(2-((3-Fluorophenyl)methyl)-1,1,3-trioxothiopheno(3,4-e)1,2,4-thiadiazaperhydroin-4-yl)ethanenitrile2-{2-[(3-Fluorophenyl)methyl]-1,1,3-trioxothiopheno[3,4-e]1,2,4-thiadiazaperhydroin-4-yl}ethanenitrile4H-Thieno[3,4-e]-1,2,4-thiadiazine-4-acetonitrile, 2-[(3-fluorophenyl)methyl]-2,3-dihydro-3-oxo-, 1,1-dioxideRefChem:297974DTXCID9097200CHEMBL130390{2-[(3-Fluorophenyl)methyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~-thieno[3,4-e][1,2,4]thiadiazin-4(1H)-yl}acetonitrile2-[2-[(3-fluorophenyl)methyl]-1,1,3-trioxo-thieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile
Database identifiers
- CAS
206662-19-3- PubChem CID
- 471980
- DTXSID
DTXSID90174709- ChEMBL
CHEMBL130390
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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