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CAS 308831-94-9

:

Ethyl 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate

Description:
Ethyl 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate, with CAS number 308831-94-9, is a complex organic compound characterized by its multi-functional structure. It features an ethyl ester group, which contributes to its solubility and reactivity. The presence of a thiophene ring indicates potential aromatic properties, while the difluorophenyl and nitrophenyl substituents suggest significant electronic effects that can influence its chemical behavior and biological activity. The compound is likely to exhibit moderate to high lipophilicity due to the aromatic and aliphatic components, which may affect its pharmacokinetic properties if considered for medicinal applications. Additionally, the presence of multiple functional groups, including an amine and ester, suggests potential for hydrogen bonding and reactivity in various chemical environments. Overall, this compound's unique structure may confer specific properties that could be of interest in fields such as medicinal chemistry or materials science.
Formula:C24H22F2N2O6S
InChI:InChI=1S/C24H22F2N2O6S/c1-4-33-23(29)20-14(3)21(15-9-11-16(12-10-15)28(31)32)35-22(20)27(24(30)34-5-2)13-17-18(25)7-6-8-19(17)26/h6-12H,4-5,13H2,1-3H3
InChI key:InChIKey=VEQKKZQAOCWPKO-UHFFFAOYSA-N
SMILES:N(CC1=C(F)C=CC=C1F)(C(OCC)=O)C2=C(C(OCC)=O)C(C)=C(S2)C3=CC=C(N(=O)=O)C=C3
Synonyms:
  • Ethyl 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
  • 3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-, ethyl ester
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