ChemSpider 2D Image | N-(3-{4-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-2-quinoxalinecarboxamide | C38H38N4O6

N-(3-{4-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-2-quinoxalinecarboxamide

  • Molecular FormulaC38H38N4O6
  • Average mass646.732 Da
  • Monoisotopic mass646.279114 Da
  • ChemSpider ID2934185

More details:

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

2-Quinoxalinecarboxamide, N-[3-[4-[(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]- [ACD/Index Name]
N-(3-{4-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-2-chinoxalincarboxamid [German] [ACD/IUPAC Name]
N-(3-{4-[(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)méthyl]-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-2-yl}phényl)-2-quinoxalinecarboxamide [French] [ACD/IUPAC Name]
N-(3-{4-[(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-2-quinoxalinecarboxamide [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 774.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 422.1±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 183.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 98.84
ACD/KOC (pH 5.5): 350.00
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2230.29
ACD/KOC (pH 7.4): 7897.58
Polar Surface Area: 115 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 499.1±3.0 cm3

Click to predict properties on the Chemicalize site


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