methyl 7-(2-bromo-4-fluorobenzenesulfonylamino)-10H-9-oxa-1,2-diazaphenanthrene-8-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2Br)ccc2c1OCc1nnccc1-2- InChIKey
DYVSYSAEBOPYGA-UHFFFAOYSA-N- Molecular formula
- C19H13BrFN3O5S
- Average molar mass
- 494.3 g/mol
Names & identifiers
- Preferred name
- methyl 7-(2-bromo-4-fluorobenzenesulfonylamino)-10H-9-oxa-1,2-diazaphenanthrene-8-carboxylate
- IUPAC
- methyl 8-[(2-bromo-4-fluorophenyl)sulfonylamino]-5H-chromeno[3,4-c]pyridazine-7-carboxylate
Names & synonyms
SCHEMBL15130176DYVSYSAEBOPYGA-UHFFFAOYSA-Nmethyl 7-(2-bromo-4-fluorobenzenesulfonylamino)-10H-9-oxa-1,2-diaza-phenanthrene-8-carboxylatemethyl 7-(2-bromo-4-fluorobenzenesulfonylamino)-10H-9-oxa-1,2-diazaphenanthrene-8-carboxylate
Database identifiers
- PubChem CID
- 89705396
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 738
Related reactions
2 records
Compound notes
Loading…