ChemSpider 2D Image | 1H-Indol-2-yl(4-{2-(3-pyridinyl)-6-[(2,3,4-trifluorophenyl)amino]-4-pyrimidinyl}-1-piperazinyl)methanone | C28H22F3N7O

1H-Indol-2-yl(4-{2-(3-pyridinyl)-6-[(2,3,4-trifluorophenyl)amino]-4-pyrimidinyl}-1-piperazinyl)methanone

  • Molecular FormulaC28H22F3N7O
  • Average mass529.516 Da
  • Monoisotopic mass529.183777 Da
  • ChemSpider ID121658467

More details:

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

1H-Indol-2-yl(4-{2-(3-pyridinyl)-6-[(2,3,4-trifluorophenyl)amino]-4-pyrimidinyl}-1-piperazinyl)methanone [ACD/IUPAC Name]
1H-Indol-2-yl(4-{2-(3-pyridinyl)-6-[(2,3,4-trifluorophényl)amino]-4-pyrimidinyl}-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
1H-Indol-2-yl(4-{2-(3-pyridinyl)-6-[(2,3,4-trifluorphenyl)amino]-4-pyrimidinyl}-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
Methanone, 1H-indol-2-yl[4-[2-(3-pyridinyl)-6-[(2,3,4-trifluorophenyl)amino]-4-pyrimidinyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 667.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.2±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 119.72
ACD/KOC (pH 5.5): 625.19
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 738.58
ACD/KOC (pH 7.4): 3856.81
Polar Surface Area: 90 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 365.8±3.0 cm3

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