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Basic information
- Standard SMILES
O=c1c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c(O)c2sccc2n1Cc1cnc(Cl)s1- InChIKey
XKAHUVGYUVSJEI-UHFFFAOYSA-N- Molecular formula
- C18H11ClN4O5S3
- Average molar mass
- 495 g/mol
- Monoisotopic mass
- 493.9580107
Names & identifiers
- Preferred name
- 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-hydroxy-6-(7-hydroxy-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)thieno[3,2-b]pyridin-5(4H)-one
- IUPAC
- 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-hydroxy-6-(7-hydroxy-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)thieno[3,2-b]pyridin-5-one
Names & synonyms
SCHEMBL1523667XKAHUVGYUVSJEI-UHFFFAOYSA-N4-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-hydroxy-6-(7-hydroxy-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)thieno[3,2-b]pyridin-5(4H)-one
Database identifiers
- PubChem CID
- 136374239
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 939
Related reactions
2 records
Compound notes
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