ChemSpider 2D Image | 3,7-Dibenzyl-8-methyl-1-(4-phenoxyphenyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one | C33H30N4O2

3,7-Dibenzyl-8-methyl-1-(4-phenoxyphenyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one

  • Molecular FormulaC33H30N4O2
  • Average mass514.617 Da
  • Monoisotopic mass514.236877 Da
  • ChemSpider ID28617530

More details:

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

3,7-Dibenzyl-8-methyl-1-(4-phenoxyphenyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-on [German] [ACD/IUPAC Name]
3,7-Dibenzyl-8-methyl-1-(4-phenoxyphenyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one [ACD/IUPAC Name]
3,7-Dibenzyl-8-méthyl-1-(4-phénoxyphényl)-1,2,3,4-tétrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one [French] [ACD/IUPAC Name]
6H-Pyrimido[1,2-a]-1,3,5-triazin-6-one, 1,2,3,4-tetrahydro-8-methyl-1-(4-phenoxyphenyl)-3,7-bis(phenylmethyl)- [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: 656.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.6±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 156.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11270.95
ACD/KOC (pH 5.5): 27661.45
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11280.62
ACD/KOC (pH 7.4): 27685.18
Polar Surface Area: 48 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 431.9±7.0 cm3

Click to predict properties on the Chemicalize site


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