ChemSpider 2D Image | 2-Methyl-2-propanyl [1'-(6-{[3-(1H-imidazol-1-yl)propyl]carbamoyl}-3-phenyl-2-quinoxalinyl)-1,4'-bipiperidin-4-yl]carbamate | C36H46N8O3

2-Methyl-2-propanyl [1'-(6-{[3-(1H-imidazol-1-yl)propyl]carbamoyl}-3-phenyl-2-quinoxalinyl)-1,4'-bipiperidin-4-yl]carbamate

  • Molecular FormulaC36H46N8O3
  • Average mass638.802 Da
  • Monoisotopic mass638.369263 Da
  • ChemSpider ID128969853

More details:

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

[1'-(6-{[3-(1H-Imidazol-1-yl)propyl]carbamoyl}-3-phényl-2-quinoxalinyl)-1,4'-bipipéridin-4-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1'-(6-{[3-(1H-imidazol-1-yl)propyl]carbamoyl}-3-phenyl-2-quinoxalinyl)-1,4'-bipiperidin-4-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1'-(6-{[3-(1H-imidazol-1-yl)propyl]carbamoyl}-3-phenyl-2-chinoxalinyl)-1,4'-bipiperidin-4-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1'-[6-[[[3-(1H-imidazol-1-yl)propyl]amino]carbonyl]-3-phenyl-2-quinoxalinyl][1,4'-bipiperidin]-4-yl]-, 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: 876.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 483.7±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 183.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 80.97
ACD/KOC (pH 7.4): 358.55
Polar Surface Area: 118 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 499.4±7.0 cm3

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