ChemSpider 2D Image | 3-(2-Chlorobenzyl)-1-(2,4-dichlorophenyl)-7-ethyl-8-methyl-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one | C22H21Cl3N4O

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

  • Molecular FormulaC22H21Cl3N4O
  • Average mass463.787 Da
  • Monoisotopic mass462.078094 Da
  • ChemSpider ID28618067

More details:

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

3-(2-Chlorbenzyl)-1-(2,4-dichlorphenyl)-7-ethyl-8-methyl-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-on [German] [ACD/IUPAC Name]
3-(2-Chlorobenzyl)-1-(2,4-dichlorophenyl)-7-ethyl-8-methyl-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one [ACD/IUPAC Name]
3-(2-Chlorobenzyl)-1-(2,4-dichlorophényl)-7-éthyl-8-méthyl-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, 3-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-7-ethyl-1,2,3,4-tetrahydro-8-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 563.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.6±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 122.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2774.52
ACD/KOC (pH 5.5): 10142.40
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2776.48
ACD/KOC (pH 7.4): 10149.56
Polar Surface Area: 39 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 333.0±7.0 cm3

Click to predict properties on the Chemicalize site


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