ChemSpider 2D Image | 5-Cyano-6-{[2-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide | C31H30N4O4S2

5-Cyano-6-{[2-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC31H30N4O4S2
  • Average mass586.724 Da
  • Monoisotopic mass586.170837 Da
  • ChemSpider ID2234525

More details:

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

3-Pyridinecarboxamide, 5-cyano-6-[[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-2-oxoethyl]thio]-1,4-dihydro-2-methyl-N-phenyl-4-(2-thienyl)- [ACD/Index Name]
5-Cyan-6-{[2-(6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-4-(2-thienyl)-1,4-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
5-Cyano-6-{[2-(6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)-2-oxoéthyl]sulfanyl}-2-méthyl-N-phényl-4-(2-thiényl)-1,4-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
5-Cyano-6-{[2-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
445384-66-7 [RN]
5-cyano-6-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
5-cyano-6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]thio}-2-methyl-N-phenyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide
5-cyano-6-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
AC1MGJ7D
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AM-807/14957437 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 820.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 119.2±3.0 kJ/mol
    Flash Point: 449.9±34.3 °C
    Index of Refraction: 1.684
    Molar Refractivity: 161.4±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.14
    ACD/LogD (pH 5.5): 4.98
    ACD/BCF (pH 5.5): 3563.94
    ACD/KOC (pH 5.5): 12135.72
    ACD/LogD (pH 7.4): 4.98
    ACD/BCF (pH 7.4): 3563.98
    ACD/KOC (pH 7.4): 12135.82
    Polar Surface Area: 157 Å2
    Polarizability: 64.0±0.5 10-24cm3
    Surface Tension: 69.4±5.0 dyne/cm
    Molar Volume: 425.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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