Basic information
- Standard SMILES
C=C(Cl)COc1ccc(Br)cc1CN(CC)c1ccc(C(=O)OCCCC)nn1- InChIKey
GVYGNENOVWGZHJ-UHFFFAOYSA-N- Molecular formula
- C21H25BrClN3O3
- Average molar mass
- 482.8 g/mol
Names & identifiers
- Preferred name
- Butyl 6-[N-(5-bromo-2-(2-chloroprop-2-en-1-yloxy)benzyl)-N-ethylamino]pyridazine-3-carboxylate
- IUPAC
- butyl 6-[[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methyl-ethylamino]pyridazine-3-carboxylate
Names & synonyms
SCHEMBL7813030GVYGNENOVWGZHJ-UHFFFAOYSA-NButyl 6-[N-(5-bromo-2-(2-chloroprop-2-en-1-yloxy)benzyl)-N-ethylamino]pyridazine-3-carboxylaten-Butyl 6-[N-(5-bromo-2-(2-chloroprop-2-en-1-yloxy)benzyl)-N-ethylamino]-pyridazine-3-carboxylaten-Butyl 6-[N-(5-bromo-2-(2-chloroprop-2-en-1-yloxy)benzyl)-N-ethylamino]pyridazine-3-carboxylate
Database identifiers
- PubChem CID
- 18693232
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 525
Related reactions
4 records
Compound notes
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