ChemSpider 2D Image | 1-{6-[4-(Diphenylmethyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-4-isopropyl-1,2,3,4-tetrahydroquinoxaline | C42H48N6

1-{6-[4-(Diphenylmethyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-4-isopropyl-1,2,3,4-tetrahydroquinoxaline

  • Molecular FormulaC42H48N6
  • Average mass636.871 Da
  • Monoisotopic mass636.394043 Da
  • ChemSpider ID122013095

More details:

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

1-{6-[4-(Diphenylmethyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-4-isopropyl-1,2,3,4-tetrahydrochinoxalin [German] [ACD/IUPAC Name]
1-{6-[4-(Diphenylmethyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-4-isopropyl-1,2,3,4-tetrahydroquinoxaline [ACD/IUPAC Name]
1-{6-[4-(Diphénylméthyl)-1-pipérazinyl]-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}-4-isopropyl-1,2,3,4-tétrahydroquinoxaline [French] [ACD/IUPAC Name]
Quinoxaline, 1-[2-[4-(1,1-dimethylethyl)phenyl]-6-[4-(diphenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-1,2,3,4-tetrahydro-4-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 704.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.7±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 195.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 4476.42
ACD/KOC (pH 5.5): 3800.32
ACD/LogD (pH 7.4): 7.56
ACD/BCF (pH 7.4): 290123.28
ACD/KOC (pH 7.4): 246304.22
Polar Surface Area: 39 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 558.6±3.0 cm3

Click to predict properties on the Chemicalize site


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