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CAS 830346-51-5

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1,1-Dimethylethyl N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]carbamate

Description:
1,1-Dimethylethyl N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]carbamate, with the CAS number 830346-51-5, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as carbamate, pyrimidine, and various aromatic rings. This compound exhibits properties typical of pharmaceuticals, potentially including moderate to high lipophilicity due to the presence of multiple aromatic and fluorinated substituents. Its molecular design suggests potential biological activity, possibly as an inhibitor or modulator in biochemical pathways. The presence of fluorine atoms may enhance metabolic stability and bioavailability. Additionally, the compound's stereochemistry, indicated by the (1R) configuration, may influence its interaction with biological targets, affecting its efficacy and safety profile. Overall, this compound represents a class of molecules that may be of interest in medicinal chemistry and drug development, warranting further investigation into its pharmacological properties.
Formula:C33H32F5N3O5
InChI:InChI=1S/C33H32F5N3O5/c1-19-27(21-13-9-16-26(45-5)28(21)35)29(42)41(18-25(20-11-7-6-8-12-20)39-30(43)46-32(2,3)4)31(44)40(19)17-22-23(33(36,37)38)14-10-15-24(22)34/h6-16,25H,17-18H2,1-5H3,(H,39,43)/t25-/m0/s1
InChI key:InChIKey=UOUIRPGFUIEVPG-VWLOTQADSA-N
SMILES:CC1=C(C(=O)N(C[C@H](NC(OC(C)(C)C)=O)C2=CC=CC=C2)C(=O)N1CC3=C(C(F)(F)F)C=CC=C3F)C4=C(F)C(OC)=CC=C4
Synonyms:
  • 3-[(R)-2-(tert-Butoxycarbonyl)amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-trifluoromethylbenzyl)-6-methyl-1H-pyrimidine-2,4-dione
  • Carbamic acid, [(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]carbamate
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