Found 56 results

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

4-{[5-Benzyl-2-({4-[(E)-2-cyanovinyl]phenyl}amino)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}-3,5-dimethoxybenzonitrile

  • Molecular FormulaC32H26N6O3
  • Average mass542.587 Da
  • Monoisotopic mass542.206665 Da
  • ChemSpider ID10137040

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{[5-Benzyl-2-({4-[(E)-2-cyanovinyl]phenyl}amino)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}-3,5-dimethoxybenzonitrile [ACD/IUPAC Name]
4-{[5-Benzyl-2-({4-[(E)-2-cyanovinyl]phényl}amino)-7-méthyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}-3,5-diméthoxybenzonitrile [French] [ACD/IUPAC Name]
4-{[5-Benzyl-2-({4-[(E)-2-cyanvinyl]phenyl}amino)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}-3,5-dimethoxybenzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[[2-[[4-[(E)-2-cyanoethenyl]phenyl]amino]-7-methyl-5-(phenylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]-3,5-dimethoxy- [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: 787.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 430.1±35.7 °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: 2.91
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 700.47
ACD/KOC (pH 5.5): 2220.86
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4278.00
ACD/KOC (pH 7.4): 13563.47
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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