ChemSpider 2D Image | 4-[5-Benzyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-N-(3-methoxyphenyl)-1-piperazinecarboxamide | C30H30FN5O2

4-[5-Benzyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-N-(3-methoxyphenyl)-1-piperazinecarboxamide

  • Molecular FormulaC30H30FN5O2
  • Average mass511.590 Da
  • Monoisotopic mass511.238342 Da
  • ChemSpider ID21573629

More details:

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

1-Piperazinecarboxamide, 4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(3-methoxyphenyl)- [ACD/Index Name]
4-[5-Benzyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-N-(3-methoxyphenyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
4-[5-Benzyl-2-(3-fluorophényl)-6-méthyl-4-pyrimidinyl]-N-(3-méthoxyphényl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-[5-Benzyl-2-(3-fluorphenyl)-6-methyl-4-pyrimidinyl]-N-(3-methoxyphenyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 661.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.9±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 27.90
ACD/KOC (pH 5.5): 112.72
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 926.56
ACD/KOC (pH 7.4): 3743.00
Polar Surface Area: 71 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 407.0±3.0 cm3

Click to predict properties on the Chemicalize site


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