8-[2-((Z)-3-diethylaminoprop-1-enyl)-4-fluorobenzenesulfonylamino]-pyrazolo[5,1-a]isoquinoline-7-carboxylic acid
Basic information
- Standard SMILES
CCN(CC)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(ccn3nccc23)c1C(=O)O- InChIKey
HAZPHHLVQDJXPD-WAYWQWQTSA-N- Molecular formula
- C25H25FN4O4S
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.15805463
Names & identifiers
- Preferred name
- 8-[2-((Z)-3-diethylaminoprop-1-enyl)-4-fluorobenzenesulfonylamino]-pyrazolo[5,1-a]isoquinoline-7-carboxylic acid
- IUPAC
- 8-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]pyrazolo[5,1-a]isoquinoline-7-carboxylic acid
Names & synonyms
SCHEMBL13739854HAZPHHLVQDJXPD-WAYWQWQTSA-N8-[2-((Z)-3-diethylaminoprop-1-enyl)-4-fluorobenzenesulfonylamino]-pyrazolo[5,1-a]isoquinoline-7-carboxylic acid
Database identifiers
- PubChem CID
- 71466705
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 862
Related reactions
1 records
Compound notes
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