ChemSpider 2D Image | 7-Benzyl-8-methyl-1-(4-phenoxyphenyl)-3-(2-pyridinylmethyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one | C32H29N5O2

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

  • Molecular FormulaC32H29N5O2
  • Average mass515.605 Da
  • Monoisotopic mass515.232117 Da
  • ChemSpider ID28617536

More details:

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

6H-Pyrimido[1,2-a]-1,3,5-triazin-6-one, 1,2,3,4-tetrahydro-8-methyl-1-(4-phenoxyphenyl)-7-(phenylmethyl)-3-(2-pyridinylmethyl)- [ACD/Index Name]
7-Benzyl-8-methyl-1-(4-phenoxyphenyl)-3-(2-pyridinylmethyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-on [German] [ACD/IUPAC Name]
7-Benzyl-8-methyl-1-(4-phenoxyphenyl)-3-(2-pyridinylmethyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one [ACD/IUPAC Name]
7-Benzyl-8-méthyl-1-(4-phénoxyphényl)-3-(2-pyridinylméthyl)-1,2,3,4-tétrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one [French] [ACD/IUPAC 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: 662.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.5±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 154.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1334.91
ACD/KOC (pH 5.5): 5833.51
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1479.55
ACD/KOC (pH 7.4): 6465.56
Polar Surface Area: 61 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 420.6±7.0 cm3

Click to predict properties on the Chemicalize site


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