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Basic information
- Standard SMILES
CCC(C)CNc1ccc2ncc(-c3ccc(C(C)=O)s3)n2n1- InChIKey
DFUWXLKZVMXROV-UHFFFAOYSA-N- Molecular formula
- C17H20N4OS
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.13578245
Names & identifiers
- Preferred name
- 1-{5-[6-(2-Methyl-butylamino)-imidazo[1,2-b]pyridazin-3-yl]-thiophen-2-yl}-ethanone
- IUPAC
- 1-[5-[6-(2-methylbutylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
Names & synonyms
SCHEMBL15254589DFUWXLKZVMXROV-UHFFFAOYSA-N1-{5-[6-(2-methyl-butylamino)-imidazo[1,2-b]pyridazin-3-yl]-thiophen-2-yl}-ethanone
Database identifiers
- PubChem CID
- 89802413
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Related reactions
1 records
Compound notes
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