ChemSpider 2D Image | {4-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}(5-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[2,3-b]quinoxalin-1-yl)methanone | C25H25N7O3

{4-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}(5-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[2,3-b]quinoxalin-1-yl)methanone

  • Molecular FormulaC25H25N7O3
  • Average mass471.511 Da
  • Monoisotopic mass471.201874 Da
  • ChemSpider ID22036332

More details:






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

{4-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}(5-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[2,3-b]chinoxalin-1-yl)methanon [German] [ACD/IUPAC Name]
{4-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}(5-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[2,3-b]quinoxalin-1-yl)methanone [ACD/IUPAC Name]
{4-[(3,5-Diméthyl-4-nitro-1H-pyrazol-1-yl)méthyl]phényl}(5-méthyl-2,3,4,5-tétrahydro-1H-[1,4]diazépino[2,3-b]quinoxalin-1-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl](2,3,4,5-tetrahydro-5-methyl-1H-[1,4]diazepino[2,3-b]quinoxalin-1-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 704.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.6±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 502.00
ACD/KOC (pH 5.5): 2980.29
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 504.06
ACD/KOC (pH 7.4): 2992.49
Polar Surface Area: 113 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 338.5±7.0 cm3

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