Cas no 130965-05-8 (5-Isoquinolinesulfonamide,N-[2-[[3-(4-cyanophenyl)-1-methyl-2-propenyl]amino]ethyl]-)

5-Isoquinolinesulfonamide,N-[2-[[3-(4-cyanophenyl)-1-methyl-2-propenyl]amino]ethyl]- structure
130965-05-8 structure
Product Name:5-Isoquinolinesulfonamide,N-[2-[[3-(4-cyanophenyl)-1-methyl-2-propenyl]amino]ethyl]-
CAS No:130965-05-8
MF:C22H22N4O2S
MW:406.500683307648
CID:1227053
Update Time:2024-08-05

5-Isoquinolinesulfonamide,N-[2-[[3-(4-cyanophenyl)-1-methyl-2-propenyl]amino]ethyl]- Chemical and Physical Properties

Names and Identifiers

    • 5-Isoquinolinesulfonamide,N-[2-[[3-(4-cyanophenyl)-1-methyl-2-propenyl]amino]ethyl]-
    • 5-Isoquinolinesulfonamide, N-[2-[[3-(4-cyanophenyl)-1-methyl-2-propen-1-yl]amino]ethyl]-
    • Inchi： 1S/C22H22N4O2S/c1-17(5-6-18-7-9-19(15-23)10-8-18)25-13-14-26-29(27,28)22-4-2-3-20-16-24-12-11-21(20)22/h2-12,16-17,25-26H,13-14H2,1H3
    • InChI Key： BAXVGJSXNBDALL-UHFFFAOYSA-N
    • SMILES： C1C2=C(C(S(NCCNC(C)C=CC3=CC=C(C#N)C=C3)(=O)=O)=CC=C2)C=CN=1

Computed Properties

  • Exact Mass: 406.14656

Experimental Properties

  • Density: 1.30±0.1 g/cm3(Predicted)
  • Boiling Point: 657.4±65.0 °C(Predicted)
  • PSA: 94.88
  • pka: 10.41±0.50(Predicted)

5-Isoquinolinesulfonamide,N-[2-[[3-(4-cyanophenyl)-1-methyl-2-propenyl]amino]ethyl]- Related Literature

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