ChemSpider 2D Image | N-{4-Methyl-3-[1-methyl-7-({4-[2-(methylamino)ethyl]phenyl}amino)-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]phenyl}-3-(trifluoromethyl)benzamide | C31H30F3N7O2

N-{4-Methyl-3-[1-methyl-7-({4-[2-(methylamino)ethyl]phenyl}amino)-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]phenyl}-3-(trifluoromethyl)benzamide

  • Molecular FormulaC31H30F3N7O2
  • Average mass589.611 Da
  • Monoisotopic mass589.241333 Da
  • ChemSpider ID9355920

More details:

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

Benzamide, N-[3-[1,4-dihydro-1-methyl-7-[[4-[2-(methylamino)ethyl]phenyl]amino]-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-{4-Methyl-3-[1-methyl-7-({4-[2-(methylamino)ethyl]phenyl}amino)-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]phenyl}-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-{4-Methyl-3-[1-methyl-7-({4-[2-(methylamino)ethyl]phenyl}amino)-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]phenyl}-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-{4-Méthyl-3-[1-méthyl-7-({4-[2-(méthylamino)éthyl]phényl}amino)-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]phényl}-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 157.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 4.51
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 2.80
ACD/KOC (pH 7.4): 12.45
Polar Surface Area: 102 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 438.3±3.0 cm3

Click to predict properties on the Chemicalize site


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