ChemSpider 2D Image | N-(6-tert-Butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-isopropoxyphenyl)quinoline-4-carboxamide | C32H35N3O3S

N-(6-tert-Butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-isopropoxyphenyl)quinoline-4-carboxamide

  • Molecular FormulaC32H35N3O3S
  • Average mass541.704 Da
  • Monoisotopic mass541.239929 Da
  • ChemSpider ID2895175

More details:

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

4-Quinolinecarboxamide, N-[3-(aminocarbonyl)-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-2-[4-(1-methylethoxy)phenyl]- [ACD/Index Name]
N-(6-tert-Butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-isopropoxyphenyl)quinoline-4-carboxamide
N-[3-Carbamoyl-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-isopropoxyphenyl)-4-chinolincarboxamid [German] [ACD/IUPAC Name]
N-[3-Carbamoyl-6-(2-méthyl-2-propanyl)-4,5,6,7-tétrahydro-1-benzothiophén-2-yl]-2-(4-isopropoxyphényl)-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[3-Carbamoyl-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-isopropoxyphenyl)-4-quinolinecarboxamide [ACD/IUPAC Name]
2-(4-Isopropoxy-phenyl)-quinoline-4-carboxylic acid (6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-amide
445233-86-3 [RN]
6-(tert-butyl)-2-({2-[4-(methylethoxy)phenyl](4-quinolyl)}carbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
AC1μ84Y
AGN-PC-0K8YH7
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/41024269 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 633.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.6±3.0 kJ/mol
    Flash Point: 336.8±31.5 °C
    Index of Refraction: 1.646
    Molar Refractivity: 159.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 8.70
    ACD/LogD (pH 5.5): 7.20
    ACD/BCF (pH 5.5): 173821.97
    ACD/KOC (pH 5.5): 195852.98
    ACD/LogD (pH 7.4): 7.20
    ACD/BCF (pH 7.4): 174516.14
    ACD/KOC (pH 7.4): 196635.14
    Polar Surface Area: 123 Å2
    Polarizability: 63.3±0.5 10-24cm3
    Surface Tension: 55.5±3.0 dyne/cm
    Molar Volume: 439.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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