Basic information
- Standard SMILES
O=c1c(C2=NS(=O)(=O)c3cc(OCc4ccccc4)ccc3N2)c(O)c2ccccc2n1NC1CCCCC1- InChIKey
JDPWVISZUDFZBG-UHFFFAOYSA-N- Molecular formula
- C29H28N4O5S
- Average molar mass
- 544.6 g/mol
Names & identifiers
- Preferred name
- 3-[7-(benzyloxy)-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl]-1-(cyclohexylamino)-4-hydroxyquinolin-2(1H)-one
- IUPAC
- 1-(cyclohexylamino)-3-(1,1-dioxo-7-phenylmethoxy-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxyquinolin-2-one
Names & synonyms
SCHEMBL1522899JDPWVISZUDFZBG-UHFFFAOYSA-N3-[7-(benzyloxy)-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl]-1-(cyclohexylamino)-4-hydroxyquinolin-2(1H)-one
Database identifiers
- PubChem CID
- 136373985
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
4 records
Compound notes
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