ChemSpider 2D Image | 4-[2-Methyl-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-N-(3-methylphenyl)-1-piperazinecarboxamide | C22H31N7O

4-[2-Methyl-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-N-(3-methylphenyl)-1-piperazinecarboxamide

  • Molecular FormulaC22H31N7O
  • Average mass409.528 Da
  • Monoisotopic mass409.259003 Da
  • ChemSpider ID22952585

More details:

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

1-Piperazinecarboxamide, 4-[2-methyl-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-N-(3-methylphenyl)- [ACD/Index Name]
4-[2-Methyl-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-N-(3-methylphenyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-[2-Methyl-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-N-(3-methylphenyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
4-[2-Méthyl-6-(4-méthyl-1-pipérazinyl)-4-pyrimidinyl]-N-(3-méthylphényl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-[2-METHYL-6-(4-METHYLPIPERAZIN-1-YL)PYRIMIDIN-4-YL]-N-(3-METHYLPHENYL)PIPERAZINE-1-CARBOXAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.2±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 333.7±3.0 cm3

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