ChemSpider 2D Image | 1-[1-(6-{[4-(4-Methyl-1-piperazinyl)phenyl]amino}-2-phenyl-4-pyrimidinyl)-3-piperidinyl]-4-phenyl-1-butanone | C36H42N6O

1-[1-(6-{[4-(4-Methyl-1-piperazinyl)phenyl]amino}-2-phenyl-4-pyrimidinyl)-3-piperidinyl]-4-phenyl-1-butanone

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID121445001

More details:

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

1-[1-(6-{[4-(4-Methyl-1-piperazinyl)phenyl]amino}-2-phenyl-4-pyrimidinyl)-3-piperidinyl]-4-phenyl-1-butanon [German] [ACD/IUPAC Name]
1-[1-(6-{[4-(4-Methyl-1-piperazinyl)phenyl]amino}-2-phenyl-4-pyrimidinyl)-3-piperidinyl]-4-phenyl-1-butanone [ACD/IUPAC Name]
1-[1-(6-{[4-(4-Méthyl-1-pipérazinyl)phényl]amino}-2-phényl-4-pyrimidinyl)-3-pipéridinyl]-4-phényl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[1-[6-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-2-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: 1.2±0.1 g/cm3
Boiling Point: 711.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 384.0±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 172.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 9.44
ACD/KOC (pH 5.5): 23.39
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 3550.93
ACD/KOC (pH 7.4): 8794.06
Polar Surface Area: 65 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 487.8±3.0 cm3

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