Basic information
- Standard SMILES
CC1CCCC(=Nn2c(=O)c(C3=NS(=O)(=O)c4ccccc4N3)c(O)c3sccc32)C1- InChIKey
AHLNUYRJXSZKHR-UHFFFAOYSA-N- Molecular formula
- C21H20N4O4S2
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.09259748
Names & identifiers
- Preferred name
- 6-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxy-4-{[3-methylcyclohexylidene]amino}thieno[3,2-b]pyridin-5(4H)-one
- IUPAC
- 6-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-7-hydroxy-4-[(3-methylcyclohexylidene)amino]thieno[3,2-b]pyridin-5-one
Names & synonyms
SCHEMBL2351144AHLNUYRJXSZKHR-UHFFFAOYSA-N6-(1,1'-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxy-4-{[3-methylcyclohexylidene]amino}thieno [3,2-b]pyridin-5(4H)-one6-(1,1'-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxy-4-{[3-methylcyclohexylidene]amino}thieno[3,2-b]pyridin-5(4H)-one6-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-7-hydroxy-4-{[3-methylcyclohexylidene]amino}thieno[3,2-b]pyridin-5(4H)-one
Database identifiers
- PubChem CID
- 136358481
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 968
Related reactions
2 records
Compound notes
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