ChemSpider 2D Image | 4-(6-Isopropoxy-2-methyl-4-pyrimidinyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarboxamide | C22H31N5O5

4-(6-Isopropoxy-2-methyl-4-pyrimidinyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarboxamide

  • Molecular FormulaC22H31N5O5
  • Average mass445.512 Da
  • Monoisotopic mass445.232513 Da
  • ChemSpider ID21928649

More details:

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

1-Piperazinecarboxamide, 4-[2-methyl-6-(1-methylethoxy)-4-pyrimidinyl]-N-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
4-(6-Isopropoxy-2-methyl-4-pyrimidinyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-(6-Isopropoxy-2-methyl-4-pyrimidinyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
4-(6-Isopropoxy-2-méthyl-4-pyrimidinyl)-N-(3,4,5-triméthoxyphényl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
1021119-35-6 [RN]
4-(6-isopropoxy-2-methylpyrimidin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
4-[2-methyl-6-(propan-2-yloxy)pyrimidin-4-yl]-N-(3,4,5-trimethoxyphenyl)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: 641.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.6±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.66
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 20.90
ACD/KOC (pH 7.4): 277.63
Polar Surface Area: 98 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 363.5±3.0 cm3

Click to predict properties on the Chemicalize site


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