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

Methyl 2-{[4-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoyl]amino}-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

  • Molecular FormulaC28H31N3O5S2
  • Average mass553.693 Da
  • Monoisotopic mass553.170532 Da
  • ChemSpider ID4176286

More details:

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

2-{[4-(3,4-Dihydro-2(1H)-isoquinoléinylsulfonyl)benzoyl]amino}-6-isopropyl-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-{[4-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoyl]amino}-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Methyl-2-{[4-(3,4-dihydro-2(1H)-isochinolinylsulfonyl)benzoyl]amino}-6-isopropyl-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-2(1H)-isoquinolinyl)sulfonyl]benzoyl]amino]-4,5,6,7-tetrahydro-6-(1-methylethyl)-, methyl ester [ACD/Index Name]
449768-09-6 [RN]
methyl 2-(4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
methyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
methyl 6-(propan-2-yl)-2-[4-(1,2,3,4-tetrahydroisoquinoline-2-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: 1.640
    Molar Refractivity: 148.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.33
    ACD/LogD (pH 5.5): 3.88
    ACD/BCF (pH 5.5): 205.71
    ACD/KOC (pH 5.5): 523.13
    ACD/LogD (pH 7.4): 5.35
    ACD/BCF (pH 7.4): 6145.91
    ACD/KOC (pH 7.4): 15628.88
    Polar Surface Area: 133 Å2
    Polarizability: 58.7±0.5 10-24cm3
    Surface Tension: 58.9±3.0 dyne/cm
    Molar Volume: 410.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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