ChemSpider 2D Image | 2-Amino-9-(2-bromophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(3H)-one | C17H18BrN5O

2-Amino-9-(2-bromophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(3H)-one

  • Molecular FormulaC17H18BrN5O
  • Average mass388.262 Da
  • Monoisotopic mass387.069458 Da
  • ChemSpider ID21758905

More details:

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

[1,2,4]Triazolo[5,1-b]quinazolin-8(4H)-one, 2-amino-9-(2-bromophenyl)-5,6,7,9-tetrahydro-6,6-dimethyl- [ACD/Index Name]
2-Amino-9-(2-bromophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(3H)-one [ACD/IUPAC Name]
2-Amino-9-(2-bromophényl)-6,6-diméthyl-5,6,7,9-tétrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(3H)-one [French] [ACD/IUPAC Name]
2-Amino-9-(2-bromphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]chinazolin-8(3H)-on [German] [ACD/IUPAC Name]
2-amino-9-(2-bromophenyl)-6,6-dimethyl-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
2-amino-9-(2-bromophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-Amino-9-(2-bromo-phenyl)-6,6-dimethyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
932971-88-5 [RN]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 570.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.6±3.0 kJ/mol
    Flash Point: 298.8±32.9 °C
    Index of Refraction: 1.768
    Molar Refractivity: 94.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 3.49
    ACD/BCF (pH 5.5): 264.45
    ACD/KOC (pH 5.5): 1874.99
    ACD/LogD (pH 7.4): 3.50
    ACD/BCF (pH 7.4): 269.83
    ACD/KOC (pH 7.4): 1913.15
    Polar Surface Area: 86 Å2
    Polarizability: 37.4±0.5 10-24cm3
    Surface Tension: 63.2±7.0 dyne/cm
    Molar Volume: 227.4±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement