6-[N-(2-benzyloxy-5-bromobenzyl)-N-ethylamino]pyridazine-3-carboxylic acid
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Basic information
- Standard SMILES
CCN(Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(C(=O)O)nn1- InChIKey
VDFONEBXNFZNDR-UHFFFAOYSA-N- Molecular formula
- C21H20BrN3O3
- Average molar mass
- 442.3 g/mol
- Monoisotopic mass
- 441.0688
Names & identifiers
- Preferred name
- 6-[N-(2-benzyloxy-5-bromobenzyl)-N-ethylamino]pyridazine-3-carboxylic acid
- IUPAC
- 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid
Names & synonyms
6-[N-(2-benzyloxy-5-bromobenzyl)-N-ethylamino]pyridazine-3-carboxylic acidSCHEMBL4868816VDFONEBXNFZNDR-UHFFFAOYSA-N177757-13-0DB-317939
Database identifiers
- PubChem CID
- 9846170
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 490
Related reactions
3 records
Compound notes
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