Basic information
- Standard SMILES
CC(C)n1nc(-c2nc(Br)c(N=O)nc2-c2ccccc2)ccc1=O- InChIKey
SQDNQDPVXXUVIQ-UHFFFAOYSA-N- Molecular formula
- C17H14BrN5O2
- Average molar mass
- 400.2 g/mol
Names & identifiers
- Preferred name
- 6-(6-Bromo-5-nitroso-3-phenyl-2-pyrazinyl)-2-isopropyl-3(2h)-pyridazinone
- IUPAC
- 6-(6-bromo-5-nitroso-3-phenylpyrazin-2-yl)-2-propan-2-ylpyridazin-3-one
Names & synonyms
SCHEMBL5150842SQDNQDPVXXUVIQ-UHFFFAOYSA-N6-(6-bromo-5-nitroso-3-phenyl-2-pyrazinyl)-2-isopropyl-3(2h)-pyridazinone
Database identifiers
- PubChem CID
- 87787330
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 573
Related reactions
1 records
Compound notes
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