Cas no 434283-16-6 (Benzamide,4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]propyl]-N-2-pyridinyl-)

Benzamide,4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]propyl]-N-2-pyridinyl- structure
434283-16-6 structure
Product Name:Benzamide,4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]propyl]-N-2-pyridinyl-
CAS No:434283-16-6
MF:C28H29N5O3
MW:483.561566114426
CID:326991
Update Time:2024-01-28

Benzamide,4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]propyl]-N-2-pyridinyl- Chemical and Physical Properties

Names and Identifiers

    • Benzamide,4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]propyl]-N-2-pyridinyl-
    • 4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbenzamide
    • LECOZOTAN
    • SRA-333
    • 4-Cyano-N-(2R-(4-(2,3-dihydrobenzo(1,4)-dioxin-5-yl)-piperazin-1-yl)-propyl)-N-pyridin-2-yl-benzamide hydrochloride
    • Lecozotan [inn]
    • Unii-23ede20K1x
    • Unii-48854otz5e
    • Benzamide, 4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]propyl]-N-2-pyridinyl-
    • TIANFU CHEM---Lecozotan
    • 4-cyano-N-(3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazin-1-yl)propyl)-N-(pyridin-2-yl)benzamide hydrochloride
    • Inchi： 1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
    • InChI Key： NRPQELCNMADTOZ-OAQYLSRUSA-N
    • SMILES： C(N(C[C@H](N1CCN(C2=C3C(=CC=C2)OCCO3)CC1)C)C1=NC=CC=C1)(=O)C1=CC=C(C#N)C=C1

Computed Properties

  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 6
  • Complexity: 770
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.7

Experimental Properties

  • Density: 1.32±0.1 g/cm3(Predicted)
  • Boiling Point: 702.9±60.0 °C(Predicted)
  • pka: 6.28±0.10(Predicted)

Benzamide,4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]propyl]-N-2-pyridinyl- Related Literature

Related Categories

434283-16-6 (Benzamide,4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]propyl]-N-2-pyridinyl-) Related Products

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