ChemSpider 2D Image | 2-[2-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-7,8-dimethoxy-4-methyl-4-(methylsulfanyl)-1,4-dihydro-3(2H)-isoquinolinone | C23H28BrNO5S

2-[2-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-7,8-dimethoxy-4-methyl-4-(methylsulfanyl)-1,4-dihydro-3(2H)-isoquinolinone

  • Molecular FormulaC23H28BrNO5S
  • Average mass510.441 Da
  • Monoisotopic mass509.087158 Da
  • ChemSpider ID9014715

More details:

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

2-[2-(2-Brom-4,5-dimethoxyphenyl)ethyl]-7,8-dimethoxy-4-methyl-4-(methylsulfanyl)-1,4-dihydro-3(2H)-isochinolinon [German] [ACD/IUPAC Name]
2-[2-(2-Bromo-4,5-diméthoxyphényl)éthyl]-7,8-diméthoxy-4-méthyl-4-(méthylsulfanyl)-1,4-dihydro-3(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
2-[2-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-7,8-dimethoxy-4-methyl-4-(methylsulfanyl)-1,4-dihydro-3(2H)-isoquinolinone [ACD/IUPAC Name]
3(2H)-Isoquinolinone, 2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1,4-dihydro-7,8-dimethoxy-4-methyl-4-(methylthio)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 636.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.6±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 931.69
ACD/KOC (pH 5.5): 4645.20
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 931.69
ACD/KOC (pH 7.4): 4645.20
Polar Surface Area: 83 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 363.1±5.0 cm3

Click to predict properties on the Chemicalize site


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