ChemSpider 2D Image | 7-{[2-({4-[4-(Cyclopropylmethyl)-1-piperazinyl]-2-methoxyphenyl}amino)-5-(trifluoromethyl)-4-pyrimidinyl]oxy}-2-methyl-1-isoindolinone | C29H31F3N6O3

7-{[2-({4-[4-(Cyclopropylmethyl)-1-piperazinyl]-2-methoxyphenyl}amino)-5-(trifluoromethyl)-4-pyrimidinyl]oxy}-2-methyl-1-isoindolinone

  • Molecular FormulaC29H31F3N6O3
  • Average mass568.590 Da
  • Monoisotopic mass568.240967 Da
  • ChemSpider ID58955191

More details:

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

1H-Isoindol-1-one, 7-[[2-[[4-[4-(cyclopropylmethyl)-1-piperazinyl]-2-methoxyphenyl]amino]-5-(trifluoromethyl)-4-pyrimidinyl]oxy]-2,3-dihydro-2-methyl- [ACD/Index Name]
7-{[2-({4-[4-(Cyclopropylmethyl)-1-piperazinyl]-2-methoxyphenyl}amino)-5-(trifluormethyl)-4-pyrimidinyl]oxy}-2-methyl-1-isoindolinon [German] [ACD/IUPAC Name]
7-{[2-({4-[4-(Cyclopropylmethyl)-1-piperazinyl]-2-methoxyphenyl}amino)-5-(trifluoromethyl)-4-pyrimidinyl]oxy}-2-methyl-1-isoindolinone [ACD/IUPAC Name]
7-{[2-({4-[4-(Cyclopropylméthyl)-1-pipérazinyl]-2-méthoxyphényl}amino)-5-(trifluorométhyl)-4-pyrimidinyl]oxy}-2-méthyl-1-isoindolinone [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: 716.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.4±35.7 °C
Index of Refraction: 1.619
Molar Refractivity: 146.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 23.89
ACD/KOC (pH 5.5): 139.35
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 421.39
ACD/KOC (pH 7.4): 2457.61
Polar Surface Area: 83 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 416.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement