ChemSpider 2D Image | 1-(2-Phenyl-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-4-pyrimidinyl)azepane | C29H35N5

1-(2-Phenyl-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-4-pyrimidinyl)azepane

  • Molecular FormulaC29H35N5
  • Average mass453.622 Da
  • Monoisotopic mass453.289246 Da
  • ChemSpider ID67810519

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(2-Phenyl-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-4-pyrimidinyl)azepan [German] [ACD/IUPAC Name]
1-(2-Phenyl-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-4-pyrimidinyl)azepane [ACD/IUPAC Name]
1-(2-Phényl-6-{4-[(2E)-3-phényl-2-propén-1-yl]-1-pipérazinyl}-4-pyrimidinyl)azépane [French] [ACD/IUPAC Name]
1H-Azepine, hexahydro-1-[2-phenyl-6-[4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl]-4-pyrimidinyl]- [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: 589.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.5±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 9.16
ACD/KOC (pH 5.5): 27.72
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 21.19
ACD/KOC (pH 7.4): 64.12
Polar Surface Area: 36 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 400.9±3.0 cm3

Click to predict properties on the Chemicalize site


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