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CAS 376348-70-8

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1,1-Dimethylethyl N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]carbamate

Description:
1,1-Dimethylethyl N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]carbamate, with CAS number 376348-70-8, is a complex organic compound characterized by its unique structural features, including a carbamate functional group and a bicyclic framework. This substance is notable for its potential applications in pharmaceuticals, particularly as a pesticide or herbicide, due to its biological activity. The presence of the triazole ring contributes to its fungicidal properties, while the bicyclic structure may enhance its interaction with biological targets. The compound's solubility, stability, and reactivity are influenced by its functional groups and overall molecular architecture. Additionally, its stereochemistry, indicated by the (1S) configuration, plays a crucial role in determining its biological efficacy and interaction with enzymes or receptors. Overall, this compound exemplifies the intricate relationship between molecular structure and biological function in the realm of chemical substances.
Formula:C27H41N5O2
InChI:InChI=1S/C27H41N5O2/c1-18(2)25-30-29-19(3)32(25)23-16-21-12-13-22(17-23)31(21)15-14-24(20-10-8-7-9-11-20)28-26(33)34-27(4,5)6/h7-11,18,21-24H,12-17H2,1-6H3,(H,28,33)/t21-,22+,23-,24-/m0/s1
InChI key:InChIKey=RFEKTEIXVDWMKV-KIHHCIJBSA-N
SMILES:C(C[C@H](NC(OC(C)(C)C)=O)C1=CC=CC=C1)N2[C@]3(C[C@H](C[C@@]2(CC3)[H])N4C(C(C)C)=NN=C4C)[H]
Synonyms:
  • Carbamic acid, [(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]carbamate
  • Carbamic acid, N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-, 1,1-dimethylethyl ester
  • [(1S)-3-[(3-
  • [3.2.1]oct-8-yl]-1-phenylpropylcarbaMate
  • ((S)-3-[3-(3-ISOPROPYL-5-METHYL-[1,2,4]TRIAZOL-4-YL)-8-AZA-BICYCLO[3.2.1]OCT-8-YL]-1-PHENYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER
  • N-Boc-(1S)-3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine
  • tert-Butyl (1S)-3-[3-(3-Isopropyl-5-Methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo
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