ChemSpider 2D Image | N-[1-(6,7-Dimethoxy-4,4-dimethyl-3,4-dihydro-2(1H)-isoquinolinyl)-3-(4-hydroxyphenyl)-1-oxo-2-propanyl]-3,5-dinitrobenzamide | C29H30N4O9

N-[1-(6,7-Dimethoxy-4,4-dimethyl-3,4-dihydro-2(1H)-isoquinolinyl)-3-(4-hydroxyphenyl)-1-oxo-2-propanyl]-3,5-dinitrobenzamide

  • Molecular FormulaC29H30N4O9
  • Average mass578.570 Da
  • Monoisotopic mass578.201294 Da
  • ChemSpider ID122260667

More details:

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

Benzamide, N-[2-(3,4-dihydro-6,7-dimethoxy-4,4-dimethyl-2(1H)-isoquinolinyl)-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-3,5-dinitro- [ACD/Index Name]
N-[1-(6,7-Dimethoxy-4,4-dimethyl-3,4-dihydro-2(1H)-isochinolinyl)-3-(4-hydroxyphenyl)-1-oxo-2-propanyl]-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-[1-(6,7-Diméthoxy-4,4-diméthyl-3,4-dihydro-2(1H)-isoquinoléinyl)-3-(4-hydroxyphényl)-1-oxo-2-propanyl]-3,5-dinitrobenzamide [French] [ACD/IUPAC Name]
N-[1-(6,7-Dimethoxy-4,4-dimethyl-3,4-dihydro-2(1H)-isoquinolinyl)-3-(4-hydroxyphenyl)-1-oxo-2-propanyl]-3,5-dinitrobenzamide [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: 786.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 429.2±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 403.81
ACD/KOC (pH 5.5): 2553.27
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 402.32
ACD/KOC (pH 7.4): 2543.89
Polar Surface Area: 180 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 429.4±3.0 cm3

Click to predict properties on the Chemicalize site


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