ChemSpider 2D Image | (E)-5-((2-(5-(benzyloxy)-1H-indol-3-yl)ethylimino)(4-chlorophenyl)methyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione | C30H27ClN4O4

(E)-5-((2-(5-(benzyloxy)-1H-indol-3-yl)ethylimino)(4-chlorophenyl)methyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

  • Molecular FormulaC30H27ClN4O4
  • Average mass543.013 Da
  • Monoisotopic mass542.172058 Da
  • ChemSpider ID18493799

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-5-((2-(5-(benzyloxy)-1H-indol-3-yl)ethylimino)(4-chlorophenyl)methyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(E)-(4-chlorophenyl)[[2-[5-(phenylmethoxy)-1H-indol-3-yl]ethyl]imino]methyl]-1,3-dimethyl- [ACD/Index Name]
5-[(E)-({2-[5-(Benzyloxy)-1H-indol-3-yl]ethyl}imino)(4-chlorophenyl)methyl]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-[(E)-({2-[5-(Benzyloxy)-1H-indol-3-yl]éthyl}imino)(4-chlorophényl)méthyl]-1,3-diméthyl-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
5-[(E)-({2-[5-(Benzyloxy)-1H-indol-3-yl]ethyl}imino)(4-chlorphenyl)methyl]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
5-[(E)-({2-[5-(benzyloxy)-1H-indol-3-yl]ethyl}imino)(4-chlorophenyl)methyl]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.3±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 150.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 17.87
ACD/KOC (pH 5.5): 53.37
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 17.87
ACD/KOC (pH 7.4): 53.37
Polar Surface Area: 95 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 409.1±7.0 cm3

Click to predict properties on the Chemicalize site


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