tert-butyl 2-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
Basic information
- Standard SMILES
COc1ccc2c(OCc3nnc4ccc(-c5cc6c(s5)CCN(C(=O)OC(C)(C)C)C6)nn34)ccnc2c1- InChIKey
DNOQPEBTJMNGPN-UHFFFAOYSA-N- Molecular formula
- C28H28N6O4S
- Average molar mass
- 544.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
- IUPAC
- tert-butyl 2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
Names & synonyms
SCHEMBL2699002DNOQPEBTJMNGPN-UHFFFAOYSA-Ntert-butyl 2-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
Database identifiers
- PubChem CID
- 67503585
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 862
Related reactions
5 records
Compound notes
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