ChemSpider 2D Image | N-{6-[3-Methyl-4-({[3-(1-methyl-4-piperidinyl)-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-4-pyrimidinyl}cyclopropanecarboxamide | C29H31F3N6O3

N-{6-[3-Methyl-4-({[3-(1-methyl-4-piperidinyl)-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-4-pyrimidinyl}cyclopropanecarboxamide

  • Molecular FormulaC29H31F3N6O3
  • Average mass568.590 Da
  • Monoisotopic mass568.240967 Da
  • ChemSpider ID76733950

More details:

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

Cyclopropanecarboxamide, N-[6-[3-methyl-4-[[[[3-(1-methyl-4-piperidinyl)-5-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-4-pyrimidinyl]- [ACD/Index Name]
N-{6-[3-Methyl-4-({[3-(1-methyl-4-piperidinyl)-5-(trifluormethyl)phenyl]carbamoyl}amino)phenoxy]-4-pyrimidinyl}cyclopropancarboxamid [German] [ACD/IUPAC Name]
N-{6-[3-Methyl-4-({[3-(1-methyl-4-piperidinyl)-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-4-pyrimidinyl}cyclopropanecarboxamide [ACD/IUPAC Name]
N-{6-[3-Méthyl-4-({[3-(1-méthyl-4-pipéridinyl)-5-(trifluorométhyl)phényl]carbamoyl}amino)phénoxy]-4-pyrimidinyl}cyclopropanecarboxamide [French] [ACD/IUPAC 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: 619.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.5±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 148.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 8.23
ACD/KOC (pH 5.5): 26.25
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 347.57
ACD/KOC (pH 7.4): 1109.03
Polar Surface Area: 108 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 411.3±3.0 cm3

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