ChemSpider 2D Image | (4Z)-7-Benzyl-3-[2-(3,4-diethoxyphenyl)ethyl]-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine | C37H36N4O2

(4Z)-7-Benzyl-3-[2-(3,4-diethoxyphenyl)ethyl]-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine

  • Molecular FormulaC37H36N4O2
  • Average mass568.707 Da
  • Monoisotopic mass568.283813 Da
  • ChemSpider ID4102219

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-7-Benzyl-3-[2-(3,4-diethoxyphenyl)ethyl]-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imin [German] [ACD/IUPAC Name]
(4Z)-7-Benzyl-3-[2-(3,4-diethoxyphenyl)ethyl]-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine [ACD/IUPAC Name]
(4Z)-7-Benzyl-3-[2-(3,4-diéthoxyphényl)éthyl]-5,6-diphényl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-imine [French] [ACD/IUPAC Name]
4H-Pyrrolo[2,3-d]pyrimidin-4-imine, 3-[2-(3,4-diethoxyphenyl)ethyl]-3,7-dihydro-5,6-diphenyl-7-(phenylmethyl)-, (4Z)- [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: 709.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 382.9±35.7 °C
Index of Refraction: 1.624
Molar Refractivity: 173.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 1275.26
ACD/KOC (pH 5.5): 1689.03
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 19522.24
ACD/KOC (pH 7.4): 25856.43
Polar Surface Area: 63 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 490.4±7.0 cm3

Click to predict properties on the Chemicalize site


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