Basic information
- Standard SMILES
O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2sccc2n1N=Cc1ccncc1- InChIKey
JPFJYOADXZTYKR-UHFFFAOYSA-N- Molecular formula
- C20H13N5O4S2
- Average molar mass
- 451.5 g/mol
Names & identifiers
- Preferred name
- 6-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxy-4-{[pyridin-4-ylmethylene]amino}thieno[3,2-b]pyridin-5(4H)-one
- IUPAC
- 6-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-7-hydroxy-4-(pyridin-4-ylmethylideneamino)thieno[3,2-b]pyridin-5-one
Names & synonyms
SCHEMBL1523597JPFJYOADXZTYKR-UHFFFAOYSA-N6-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxy-4-{[pyridin-4-ylmethylene]amino}thieno[3,2-b]pyridin-5(4H)-one
Database identifiers
- PubChem CID
- 136374227
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 936
Related reactions
2 records
Compound notes
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