ChemSpider 2D Image | WS6 | C29H31F3N6O3

WS6

  • Molecular FormulaC29H31F3N6O3
  • Average mass568.590 Da
  • Monoisotopic mass568.240967 Da
  • ChemSpider ID32813331

More details:

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

1421227-53-3 [RN]
4-[[6-[(Cyclopropylcarbonyl)amino]-4-pyrimidinyl]oxy]-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]benzeneacetamide
Benzeneacetamide, 4-[[6-[(cyclopropylcarbonyl)amino]-4-pyrimidinyl]oxy]-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]- [ACD/Index Name]
N-(6-{4-[({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)methyl]phenoxy}pyrimidin-4-yl)cyclopropanecarboxamide
N-(6-{4-[2-({4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}amino)-2-oxoethyl]phenoxy}-4-pyrimidinyl)cyclopropancarboxamid [German] [ACD/IUPAC Name]
N-(6-{4-[2-({4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}amino)-2-oxoethyl]phenoxy}-4-pyrimidinyl)cyclopropanecarboxamide [ACD/IUPAC Name]
N-(6-{4-[2-({4-[(4-Méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}amino)-2-oxoéthyl]phénoxy}-4-pyrimidinyl)cyclopropanecarboxamide [French] [ACD/IUPAC Name]
WS6
[1421227-53-3] [RN]
4-[[6-[(cyclopropylcarbonyl)amino]-4-pyrimidinyl]oxy]-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-benzeneacetamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 744.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 403.8±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 147.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 3.39
ACD/KOC (pH 5.5): 21.75
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 151.03
ACD/KOC (pH 7.4): 968.55
Polar Surface Area: 100 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 413.6±3.0 cm3

Click to predict properties on the Chemicalize site


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