Found 1 result

Search term: XMHOQMWWBQSINS-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-Benzyl-3-(4-ethylphenyl)-1-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione | C21H19N5O2

6-Benzyl-3-(4-ethylphenyl)-1-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione

  • Molecular FormulaC21H19N5O2
  • Average mass373.408 Da
  • Monoisotopic mass373.153870 Da
  • ChemSpider ID30819654

More details:

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

6-Benzyl-3-(4-ethylphenyl)-1-methylpyrimido[5,4-e][1,2,4]triazin-5,7(1H,6H)-dion [German] [ACD/IUPAC Name]
6-Benzyl-3-(4-ethylphenyl)-1-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione [ACD/IUPAC Name]
6-Benzyl-3-(4-éthylphényl)-1-méthylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione [French] [ACD/IUPAC Name]
Pyrimido[5,4-e]-1,2,4-triazine-5,7(1H,6H)-dione, 3-(4-ethylphenyl)-1-methyl-6-(phenylmethyl)- [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: 506.9±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.3±30.9 °C
Index of Refraction: 1.679
Molar Refractivity: 107.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.19
ACD/KOC (pH 5.5): 266.61
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.19
ACD/KOC (pH 7.4): 266.61
Polar Surface Area: 78 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 285.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement