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

3-(1-Methyl-1H-indol-3-yl)-4-{2-(3-pyridinyl)-6-[(2,3,4-trifluorophenyl)amino]-4-pyrimidinyl}-2-piperazinone

  • Molecular FormulaC28H22F3N7O
  • Average mass529.516 Da
  • Monoisotopic mass529.183777 Da
  • ChemSpider ID121659396

More details:

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

2-Piperazinone, 3-(1-methyl-1H-indol-3-yl)-4-[2-(3-pyridinyl)-6-[(2,3,4-trifluorophenyl)amino]-4-pyrimidinyl]- [ACD/Index Name]
3-(1-Methyl-1H-indol-3-yl)-4-{2-(3-pyridinyl)-6-[(2,3,4-trifluorophenyl)amino]-4-pyrimidinyl}-2-piperazinone [ACD/IUPAC Name]
3-(1-Méthyl-1H-indol-3-yl)-4-{2-(3-pyridinyl)-6-[(2,3,4-trifluorophényl)amino]-4-pyrimidinyl}-2-pipérazinone [French] [ACD/IUPAC Name]
3-(1-Methyl-1H-indol-3-yl)-4-{2-(3-pyridinyl)-6-[(2,3,4-trifluorphenyl)amino]-4-pyrimidinyl}-2-piperazinon [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 693.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.4±31.5 °C
Index of Refraction: 1.700
Molar Refractivity: 139.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 420.26
ACD/KOC (pH 5.5): 2565.13
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 456.74
ACD/KOC (pH 7.4): 2787.79
Polar Surface Area: 88 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 361.8±7.0 cm3

Click to predict properties on the Chemicalize site


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