Found 56 results

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

4-{[4-{4-[(E)-2-Cyanovinyl]-2,6-dimethoxyphenoxy}-5-(4-methylbenzyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino}benzonitrile

  • Molecular FormulaC32H26N6O3
  • Average mass542.587 Da
  • Monoisotopic mass542.206665 Da
  • ChemSpider ID10136791

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{[4-{4-[(E)-2-Cyanovinyl]-2,6-dimethoxyphenoxy}-5-(4-methylbenzyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino}benzonitrile [ACD/IUPAC Name]
4-{[4-{4-[(E)-2-Cyanovinyl]-2,6-diméthoxyphénoxy}-5-(4-méthylbenzyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino}benzonitrile [French] [ACD/IUPAC Name]
4-{[4-{4-[(E)-2-Cyanvinyl]-2,6-dimethoxyphenoxy}-5-(4-methylbenzyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino}benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethoxyphenoxy]-5-[(4-methylphenyl)methyl]-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: 805.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 441.0±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): 4.82
ACD/BCF (pH 5.5): 1994.00
ACD/KOC (pH 5.5): 5556.20
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6984.43
ACD/KOC (pH 7.4): 19461.81
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

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