ChemSpider 2D Image | 3-{2-[4-(2-Isopropyl-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-4-pyrimidinyl)-1-piperazinyl]ethyl}-1H-indole | C34H43N7

3-{2-[4-(2-Isopropyl-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-4-pyrimidinyl)-1-piperazinyl]ethyl}-1H-indole

  • Molecular FormulaC34H43N7
  • Average mass549.752 Da
  • Monoisotopic mass549.357971 Da
  • ChemSpider ID121829173

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Indole, 3-[2-[4-[2-(1-methylethyl)-6-[4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl]-4-pyrimidinyl]-1-piperazinyl]ethyl]- [ACD/Index Name]
3-{2-[4-(2-Isopropyl-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-4-pyrimidinyl)-1-piperazinyl]ethyl}-1H-indol [German] [ACD/IUPAC Name]
3-{2-[4-(2-Isopropyl-6-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}-4-pyrimidinyl)-1-piperazinyl]ethyl}-1H-indole [ACD/IUPAC Name]
3-{2-[4-(2-Isopropyl-6-{4-[(2E)-3-phényl-2-propén-1-yl]-1-pipérazinyl}-4-pyrimidinyl)-1-pipérazinyl]éthyl}-1H-indole [French] [ACD/IUPAC 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: 744.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.1±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 170.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 7.22
ACD/KOC (pH 7.4): 24.96
Polar Surface Area: 55 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 469.8±3.0 cm3

Click to predict properties on the Chemicalize site


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