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CAS 1235036-16-4

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1,1-Dimethylethyl 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-bromo-2-pyridinecarboxylate

Description:
1,1-Dimethylethyl 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-bromo-2-pyridinecarboxylate is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups and heterocycles. The presence of a benzothiazole moiety suggests potential biological activity, as compounds containing this structure are often investigated for their pharmacological properties. The isoquinoline and pyridine components contribute to the compound's aromatic character and may influence its solubility and reactivity. The bromine atom introduces a halogen, which can enhance the compound's reactivity and may play a role in its interaction with biological targets. Additionally, the tert-butyl group (1,1-dimethylethyl) can affect the compound's steric properties and overall stability. Overall, this compound's unique combination of structural features positions it as a candidate for further research, particularly in medicinal chemistry and drug development, where such complex molecules are often explored for their therapeutic potential.
Formula:C27H25BrN4O3S
InChI:InChI=1S/C27H25BrN4O3S/c1-27(2,3)35-25(34)23-19(28)11-12-22(30-23)32-14-13-16-7-6-8-17(18(16)15-32)24(33)31-26-29-20-9-4-5-10-21(20)36-26/h4-12H,13-15H2,1-3H3,(H,29,31,33)
InChI key:InChIKey=MHSIKILHKGQXMY-UHFFFAOYSA-N
SMILES:C(NC1=NC=2C(S1)=CC=CC2)(=O)C3=C4C(CCN(C4)C=5N=C(C(OC(C)(C)C)=O)C(Br)=CC5)=CC=C3
Synonyms:
  • 1,1-Dimethylethyl 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-bromo-2-pyridinecarboxylate
  • 2-Pyridinecarboxylic acid, 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-bromo-, 1,1-dimethylethyl ester
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