ChemSpider 2D Image | Ethyl 2-{[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)benzoyl]amino}-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate | C28H31N3O5S2

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

  • Molecular FormulaC28H31N3O5S2
  • Average mass553.693 Da
  • Monoisotopic mass553.170532 Da
  • ChemSpider ID2907888

More details:

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

2-{[4-(3,4-Dihydro-1(2H)-quinoléinylsulfonyl)benzoyl]amino}-6-éthyl-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-{[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)benzoyl]amino}-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[4-(3,4-dihydro-1(2H)-chinolinylsulfonyl)benzoyl]amino}-6-ethyl-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]-6-ethyl-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
449767-64-0 [RN]
ethyl 2-(4-((3,4-dihydroquinolin-1(2H)-yl)sulfonyl)benzamido)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
ethyl 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
ethyl 6-ethyl-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: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.636
    Molar Refractivity: 148.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.88
    ACD/LogD (pH 5.5): 3.61
    ACD/BCF (pH 5.5): 134.42
    ACD/KOC (pH 5.5): 409.33
    ACD/LogD (pH 7.4): 5.03
    ACD/BCF (pH 7.4): 3527.40
    ACD/KOC (pH 7.4): 10741.38
    Polar Surface Area: 133 Å2
    Polarizability: 58.7±0.5 10-24cm3
    Surface Tension: 58.2±3.0 dyne/cm
    Molar Volume: 412.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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