Found 56 results

Search term: MF = 'C_{32}H_{26}N_{6}O_{3}'
ChemSpider 2D Image | 4-[(5-Benzyl-4-{4-[(E)-2-cyanovinyl]-2,6-dimethoxyphenoxy}-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)amino]benzonitrile | C32H26N6O3

4-[(5-Benzyl-4-{4-[(E)-2-cyanovinyl]-2,6-dimethoxyphenoxy}-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)amino]benzonitrile

  • Molecular FormulaC32H26N6O3
  • Average mass542.587 Da
  • Monoisotopic mass542.206665 Da
  • ChemSpider ID10136749

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(5-Benzyl-4-{4-[(E)-2-cyanovinyl]-2,6-dimethoxyphenoxy}-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)amino]benzonitrile [ACD/IUPAC Name]
4-[(5-Benzyl-4-{4-[(E)-2-cyanovinyl]-2,6-diméthoxyphénoxy}-7-méthyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)amino]benzonitrile [French] [ACD/IUPAC Name]
4-[(5-Benzyl-4-{4-[(E)-2-cyanvinyl]-2,6-dimethoxyphenoxy}-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)amino]benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethoxyphenoxy]-7-methyl-5-(phenylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 806.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 441.5±37.1 °C
Index of Refraction: 1.637
Molar Refractivity: 157.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 992.96
ACD/KOC (pH 5.5): 2766.85
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6679.06
ACD/KOC (pH 7.4): 18610.92
Polar Surface Area: 118 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 439.6±7.0 cm3

Click to predict properties on the Chemicalize site


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