ChemSpider 2D Image | 4-Methyl-3-[({1-[6-(methylamino)-4-pyrimidinyl]cyclopropyl}carbonyl)amino]-N-[4-(4-morpholinylmethyl)-3-(trifluoromethyl)phenyl]benzamide | C29H31F3N6O3

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

  • Molecular FormulaC29H31F3N6O3
  • Average mass568.590 Da
  • Monoisotopic mass568.240967 Da
  • ChemSpider ID76758279

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-morpholinylmethyl)-3-(trifluormethyl)phenyl]benzamid [German] [ACD/IUPAC Name]
4-Methyl-3-[({1-[6-(methylamino)-4-pyrimidinyl]cyclopropyl}carbonyl)amino]-N-[4-(4-morpholinylmethyl)-3-(trifluoromethyl)phenyl]benzamide [ACD/IUPAC Name]
4-Méthyl-3-[({1-[6-(méthylamino)-4-pyrimidinyl]cyclopropyl}carbonyl)amino]-N-[4-(4-morpholinylméthyl)-3-(trifluorométhyl)phényl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-methyl-3-[[[1-[6-(methylamino)-4-pyrimidinyl]cyclopropyl]carbonyl]amino]-N-[4-(4-morpholinylmethyl)-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: 675.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.2±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 6.88
ACD/KOC (pH 5.5): 53.68
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 172.81
ACD/KOC (pH 7.4): 1348.73
Polar Surface Area: 108 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 65.7±3.0 dyne/cm
Molar Volume: 406.4±3.0 cm3

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