ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{6-[4-(2-acetamidophenyl)-1-piperazinyl]-2-(4-methylphenyl)-4-pyrimidinyl}-4-piperidinyl)carbamate | C33H43N7O3

2-Methyl-2-propanyl (1-{6-[4-(2-acetamidophenyl)-1-piperazinyl]-2-(4-methylphenyl)-4-pyrimidinyl}-4-piperidinyl)carbamate

  • Molecular FormulaC33H43N7O3
  • Average mass585.740 Da
  • Monoisotopic mass585.342712 Da
  • ChemSpider ID121856070

More details:

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

(1-{6-[4-(2-Acétamidophényl)-1-pipérazinyl]-2-(4-méthylphényl)-4-pyrimidinyl}-4-pipéridinyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{6-[4-(2-acetamidophenyl)-1-piperazinyl]-2-(4-methylphenyl)-4-pyrimidinyl}-4-piperidinyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{6-[4-(2-acetamidophenyl)-1-piperazinyl]-2-(4-methylphenyl)-4-pyrimidinyl}-4-piperidinyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[6-[4-[2-(acetylamino)phenyl]-1-piperazinyl]-2-(4-methylphenyl)-4-pyrimidinyl]-4-piperidinyl]-, 1,1-dimethylethyl ester [ACD/Index 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: 749.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 167.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 6.95
ACD/KOC (pH 5.5): 25.81
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 8.95
ACD/KOC (pH 7.4): 33.23
Polar Surface Area: 103 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 465.8±5.0 cm3

Click to predict properties on the Chemicalize site


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