Basic information
- Standard SMILES
CC(C)CNn1c(=O)c(C2=NS(=O)(=O)c3cc(Oc4ncccc4[N+](=O)[O-])ccc3N2)c(O)c2ccccc21- InChIKey
RDKDOSJYBDHDME-UHFFFAOYSA-N- Molecular formula
- C25H22N6O7S
- Average molar mass
- 550.5 g/mol
Names & identifiers
- Preferred name
- 4-hydroxy-1-(isobutylamino)-3-{7-[(3-nitropyridin-2-yl)oxy]-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl}quinolin-2(1H)-one
- IUPAC
- 4-hydroxy-1-(2-methylpropylamino)-3-[7-[(3-nitro-2-pyridinyl)oxy]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl]quinolin-2-one
Names & synonyms
SCHEMBL1380064RDKDOSJYBDHDME-UHFFFAOYSA-N4-hydroxy-1-(isobutylamino)-3-{7-[(3-nitropyridin-2-yl)oxy]-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl}quinolin-2(1H)-one
Database identifiers
- PubChem CID
- 136347356
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
2 records
Compound notes
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