Basic information
- Standard SMILES
CCOC(=O)CCNC(=O)c1cn2nc(Cl)ccc2n1- InChIKey
CAPLCEYFJJBZOX-UHFFFAOYSA-N- Molecular formula
- C12H13ClN4O3
- Average molar mass
- 296.71 g/mol
- Monoisotopic mass
- 296.067618
Names & identifiers
- Preferred name
- N-(6-Chloroimidazo[1,2-b]pyridazine-2-carbonyl) beta-Alanine Ethyl Ester
- IUPAC
- ethyl 3-[(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)amino]propanoate
Names & synonyms
SCHEMBL6617206CAPLCEYFJJBZOX-UHFFFAOYSA-NN-(6-Chloroimidazo[1,2-b]pyridazine-2-carbonyl) beta-Alanine Ethyl EsterN-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-beta-alanine ethyl esterN-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)beta-alanine ethyl ester
Database identifiers
- PubChem CID
- 22989218
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
6 records
Compound notes
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