ChemSpider 2D Image | N-(5-{[2-Fluoro-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)-4-methoxy-2-{[4-(1-piperazinyl)phenyl]amino}-5-pyrimidinecarboxamide | C31H29F4N7O3

N-(5-{[2-Fluoro-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)-4-methoxy-2-{[4-(1-piperazinyl)phenyl]amino}-5-pyrimidinecarboxamide

  • Molecular FormulaC31H29F4N7O3
  • Average mass623.601 Da
  • Monoisotopic mass623.226807 Da
  • ChemSpider ID22376421

More details:

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

5-Pyrimidinecarboxamide, N-[5-[[[2-fluoro-3-(trifluoromethyl)phenyl]amino]carbonyl]-2-methylphenyl]-4-methoxy-2-[[4-(1-piperazinyl)phenyl]amino]- [ACD/Index Name]
N-(5-{[2-Fluor-3-(trifluormethyl)phenyl]carbamoyl}-2-methylphenyl)-4-methoxy-2-{[4-(1-piperazinyl)phenyl]amino}-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
N-(5-{[2-Fluoro-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)-4-methoxy-2-{[4-(1-piperazinyl)phenyl]amino}-5-pyrimidinecarboxamide [ACD/IUPAC Name]
N-(5-{[2-Fluoro-3-(trifluorométhyl)phényl]carbamoyl}-2-méthylphényl)-4-méthoxy-2-{[4-(1-pipérazinyl)phényl]amino}-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide
9NH

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 161.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.83
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 24.18
ACD/KOC (pH 7.4): 120.89
Polar Surface Area: 121 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 446.0±3.0 cm3

Click to predict properties on the Chemicalize site


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