ChemSpider 2D Image | 6-(3,4-Dimethylphenyl)-3-({4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl}amino)-2-pyrazinecarboxamide | C27H34N6O2

6-(3,4-Dimethylphenyl)-3-({4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl}amino)-2-pyrazinecarboxamide

  • Molecular FormulaC27H34N6O2
  • Average mass474.598 Da
  • Monoisotopic mass474.274323 Da
  • ChemSpider ID34528907

More details:

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

2-Pyrazinecarboxamide, 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl]amino]- [ACD/Index Name]
6-(3,4-Dimethylphenyl)-3-({4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl}amino)-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
6-(3,4-Dimethylphenyl)-3-({4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl}amino)-2-pyrazinecarboxamide [ACD/IUPAC Name]
6-(3,4-Diméthylphényl)-3-({4-[3-(4-méthyl-1-pipérazinyl)propoxy]phényl}amino)-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]
6-(3,4-Dimethylphenyl)-3-[[4-[3-(4-Methylpiperazin-1-Yl)propoxy]phenyl]amino]pyrazine-2-Carboxamide
B5U

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

Density: 1.2±0.1 g/cm3
Boiling Point: 645.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.1±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 5.92
ACD/KOC (pH 5.5): 27.62
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 303.29
ACD/KOC (pH 7.4): 1415.63
Polar Surface Area: 97 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 400.1±3.0 cm3

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