ChemSpider 2D Image | {6,7-Dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-2(1H)-isoquinolinyl}(3,4-dimethoxyphenyl)methanone | C27H28N2O8

{6,7-Dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-2(1H)-isoquinolinyl}(3,4-dimethoxyphenyl)methanone

  • Molecular FormulaC27H28N2O8
  • Average mass508.520 Da
  • Monoisotopic mass508.184570 Da
  • ChemSpider ID4269143

More details:

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

{6,7-Dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-2(1H)-isochinolinyl}(3,4-dimethoxyphenyl)methanon [German] [ACD/IUPAC Name]
{6,7-Diméthoxy-1-[(4-nitrophénoxy)méthyl]-3,4-dihydro-2(1H)-isoquinoléinyl}(3,4-diméthoxyphényl)méthanone [French] [ACD/IUPAC Name]
{6,7-Dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-2(1H)-isoquinolinyl}(3,4-dimethoxyphenyl)methanone [ACD/IUPAC Name]
Methanone, [3,4-dihydro-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2(1H)-isoquinolinyl](3,4-dimethoxyphenyl)- [ACD/Index Name]
(6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(3,4-dimethoxyphenyl)methanone
2-(3,4-dimethoxybenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.2±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 135.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 441.66
ACD/KOC (pH 5.5): 2722.46
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 441.66
ACD/KOC (pH 7.4): 2722.46
Polar Surface Area: 112 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 401.6±3.0 cm3

Click to predict properties on the Chemicalize site


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