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CAS 100826-98-0

:

3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]propanoic acid

Description:
The chemical substance known as 3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]propanoic acid, with the CAS number 100826-98-0, is a complex organic compound characterized by its unique structural features. It contains a thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine core, which is a bicyclic structure that incorporates both diazepine and triazole functionalities, contributing to its potential biological activity. The presence of a 2-chlorophenyl group enhances its lipophilicity and may influence its interaction with biological targets. Additionally, the propanoic acid moiety suggests potential acidic properties, which could affect solubility and reactivity. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry, particularly in the development of therapeutic agents. Its specific characteristics, such as melting point, solubility, and reactivity, would require empirical investigation for detailed understanding.
Formula:C18H15ClN4O2S
InChI:InChI=1/C18H15ClN4O2S/c1-10-21-22-15-9-20-17(12-4-2-3-5-14(12)19)13-8-11(6-7-16(24)25)26-18(13)23(10)15/h2-5,8H,6-7,9H2,1H3,(H,24,25)
SMILES:Cc1nnc2CN=C(c3ccccc3Cl)c3cc(CCC(=O)O)sc3n12
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