ChemSpider 2D Image | (5E)-5-{3-Chloro-5-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-1-(2,5-diethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione | C30H29ClN2O7

(5E)-5-{3-Chloro-5-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-1-(2,5-diethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC30H29ClN2O7
  • Average mass565.013 Da
  • Monoisotopic mass564.166321 Da
  • ChemSpider ID68787297

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-{3-Chlor-5-methoxy-4-[(3-methylbenzyl)oxy]benzyliden}-1-(2,5-diethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
(5E)-5-{3-Chloro-5-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-1-(2,5-diethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
(5E)-5-{3-Chloro-5-méthoxy-4-[(3-méthylbenzyl)oxy]benzylidène}-1-(2,5-diéthoxyphényl)-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylene]-1-(2,5-diethoxyphenyl)-, (5E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 151.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3360.97
ACD/KOC (pH 5.5): 11530.17
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 977.81
ACD/KOC (pH 7.4): 3354.48
Polar Surface Area: 103 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 433.0±3.0 cm3

Click to predict properties on the Chemicalize site


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