ChemSpider 2D Image | 4-Methyl-3-[({1-[6-(methylamino)-4-pyrimidinyl]cyclopropyl}carbonyl)amino]-N-[4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]benzamide | C29H32F3N7O2

4-Methyl-3-[({1-[6-(methylamino)-4-pyrimidinyl]cyclopropyl}carbonyl)amino]-N-[4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]benzamide

  • Molecular FormulaC29H32F3N7O2
  • Average mass567.605 Da
  • Monoisotopic mass567.256958 Da
  • ChemSpider ID76760118

More details:

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

4-Methyl-3-[({1-[6-(methylamino)-4-pyrimidinyl]cyclopropyl}carbonyl)amino]-N-[4-(4-methyl-1-piperazinyl)-3-(trifluormethyl)phenyl]benzamid [German] [ACD/IUPAC Name]
4-Methyl-3-[({1-[6-(methylamino)-4-pyrimidinyl]cyclopropyl}carbonyl)amino]-N-[4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]benzamide [ACD/IUPAC Name]
4-Méthyl-3-[({1-[6-(méthylamino)-4-pyrimidinyl]cyclopropyl}carbonyl)amino]-N-[4-(4-méthyl-1-pipérazinyl)-3-(trifluorométhyl)phényl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-methyl-3-[[[1-[6-(methylamino)-4-pyrimidinyl]cyclopropyl]carbonyl]amino]-N-[4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]- [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: 699.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.8±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 150.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 10.26
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 358.42
ACD/KOC (pH 7.4): 1786.84
Polar Surface Area: 102 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 412.3±3.0 cm3

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