ChemSpider 2D Image | 1-(1-{6-[Butyl(ethyl)amino]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-3-piperidinyl)-4-phenyl-1-butanone | C35H48N4O

1-(1-{6-[Butyl(ethyl)amino]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-3-piperidinyl)-4-phenyl-1-butanone

  • Molecular FormulaC35H48N4O
  • Average mass540.782 Da
  • Monoisotopic mass540.382813 Da
  • ChemSpider ID122018757

More details:

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

1-(1-{6-[Butyl(ethyl)amino]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-3-piperidinyl)-4-phenyl-1-butanon [German] [ACD/IUPAC Name]
1-(1-{6-[Butyl(ethyl)amino]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-3-piperidinyl)-4-phenyl-1-butanone [ACD/IUPAC Name]
1-(1-{6-[Butyl(éthyl)amino]-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}-3-pipéridinyl)-4-phényl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[1-[6-(butylethylamino)-2-[4-(1,1-dimethylethyl)phenyl]-4-pyrimidinyl]-3-piperidinyl]-4-phenyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 635.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 337.9±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 166.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 9942.94
ACD/KOC (pH 5.5): 8415.99
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 281854.25
ACD/KOC (pH 7.4): 238569.53
Polar Surface Area: 49 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 509.1±3.0 cm3

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