Basic information
- Standard SMILES
COc1ccc(CN(c2ccccc2)c2cc(Cl)nn3c(C(=O)O)cnc23)cc1- InChIKey
QINCIUNDSAOHBD-UHFFFAOYSA-N- Molecular formula
- C21H17ClN4O3
- Average molar mass
- 408.8 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-8-((4-methoxybenzyl)(phenyl)amino)imidazo[1,2-b]pyridazine-3-carboxylic acid
- IUPAC
- 6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-3-carboxylic acid
Names & synonyms
SCHEMBL3017547QINCIUNDSAOHBD-UHFFFAOYSA-N6-chloro-8-((4-methoxybenzyl)(phenyl)amino) imidazo[1,2-b]pyridazine-3-carboxylic acid6-chloro-8-((4-methoxybenzyl)(phenyl)amino)-imidazo[1,2-b]pyridazine-3-carboxylic acid6-chloro-8-((4-methoxybenzyl)(phenyl)amino)imidazo[1,2-b]pyridazine-3-carboxylic acid
Database identifiers
- PubChem CID
- 59624883
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 554
Related reactions
12 records
Compound notes
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