Cas no 383146-82-5 (4-Ethyl-3-[(4-methylbenzyl)sulfonyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole)

4-Ethyl-3-[(4-methylbenzyl)sulfonyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole structure
383146-82-5 structure
Product Name:4-Ethyl-3-[(4-methylbenzyl)sulfonyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
CAS No:383146-82-5
MF:C20H20F3N3O3S
MW:439.451313972473
CID:5026295
Update Time:2023-08-25

4-Ethyl-3-[(4-methylbenzyl)sulfonyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole Chemical and Physical Properties

Names and Identifiers

    • 4-ethyl-3-[(4-methylphenyl)methanesulfonyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
    • 4-ethyl-3-[(4-methylbenzyl)sulfonyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
    • 4-Ethyl-3-[(4-methylbenzyl)sulfonyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
    • Inchi: 1S/C20H20F3N3O3S/c1-3-26-18(12-29-17-6-4-5-16(11-17)20(21,22)23)24-25-19(26)30(27,28)13-15-9-7-14(2)8-10-15/h4-11H,3,12-13H2,1-2H3
    • InChI Key: YITOBPIEKKAGGD-UHFFFAOYSA-N
    • SMILES: S(CC1C=CC(C)=CC=1)(C1=NN=C(COC2C=CC=C(C(F)(F)F)C=2)N1CC)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 648
  • XLogP3: 3.5
  • Topological Polar Surface Area: 82.5

4-Ethyl-3-[(4-methylbenzyl)sulfonyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole Pricemore >>

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