ChemSpider 2D Image | Ethyl 6-benzyl-2-{[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate | C33H33N3O5S2

Ethyl 6-benzyl-2-{[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

  • Molecular FormulaC33H33N3O5S2
  • Average mass615.762 Da
  • Monoisotopic mass615.186157 Da
  • ChemSpider ID3458487

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6-Benzyl-2-{[4-(3,4-dihydro-1(2H)-quinoléinylsulfonyl)benzoyl]amino}-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-benzyl-2-{[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Ethyl-6-benzyl-2-{[4-(3,4-dihydro-1(2H)-chinolinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoyl]amino]-4,5,6,7-tetrahydro-6-(phenylmethyl)-, ethyl ester [ACD/Index Name]
524063-78-3 [RN]
ethyl 6-benzyl-2-(4-((3,4-dihydroquinolin-1(2H)-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
ethyl 6-benzyl-2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
ethyl 6-benzyl-2-[4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.663
    Molar Refractivity: 168.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 6.78
    ACD/LogD (pH 5.5): 5.35
    ACD/BCF (pH 5.5): 4613.32
    ACD/KOC (pH 5.5): 9218.75
    ACD/LogD (pH 7.4): 6.03
    ACD/BCF (pH 7.4): 22118.18
    ACD/KOC (pH 7.4): 44198.52
    Polar Surface Area: 133 Å2
    Polarizability: 66.6±0.5 10-24cm3
    Surface Tension: 62.3±3.0 dyne/cm
    Molar Volume: 453.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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