ChemSpider 2D Image | {4-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)-5-pyrimidinyl}(4-methyl-1-piperidinyl)methanone | C31H39N5O5

{4-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)-5-pyrimidinyl}(4-methyl-1-piperidinyl)methanone

  • Molecular FormulaC31H39N5O5
  • Average mass561.672 Da
  • Monoisotopic mass561.295105 Da
  • ChemSpider ID22632002

More details:






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

{4-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)-5-pyrimidinyl}(4-methyl-1-piperidinyl)methanon [German] [ACD/IUPAC Name]
{4-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)-5-pyrimidinyl}(4-methyl-1-piperidinyl)methanone [ACD/IUPAC Name]
{4-[4-(2-Méthoxyphényl)-1-pipérazinyl]-2-(3,4,5-triméthoxyphényl)-5-pyrimidinyl}(4-méthyl-1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)-5-pyrimidinyl](4-methyl-1-piperidinyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 673.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.2±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 156.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 49.71
ACD/KOC (pH 5.5): 360.18
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 240.34
ACD/KOC (pH 7.4): 1741.27
Polar Surface Area: 89 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 469.8±3.0 cm3

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