ChemSpider 2D Image | 3-[8-(2,6-Difluorophenyl)-2-{[2-(dimethylamino)ethyl](methyl)amino}-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-N-(4-fluorophenyl)-4-methylbenzamide | C31H30F3N7O2

3-[8-(2,6-Difluorophenyl)-2-{[2-(dimethylamino)ethyl](methyl)amino}-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-N-(4-fluorophenyl)-4-methylbenzamide

  • Molecular FormulaC31H30F3N7O2
  • Average mass589.611 Da
  • Monoisotopic mass589.241333 Da
  • ChemSpider ID10124754

More details:

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

3-[8-(2,6-Difluorophenyl)-2-{[2-(dimethylamino)ethyl](methyl)amino}-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-N-(4-fluorophenyl)-4-methylbenzamide [ACD/IUPAC Name]
3-[8-(2,6-Difluorophényl)-2-{[2-(diméthylamino)éthyl](méthyl)amino}-7-oxo-5,6,7,8-tétrahydropyrimido[4,5-d]pyrimidin-4-yl]-N-(4-fluorophényl)-4-méthylbenzamide [French] [ACD/IUPAC Name]
3-[8-(2,6-Difluorphenyl)-2-{[2-(dimethylamino)ethyl](methyl)amino}-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-N-(4-fluorphenyl)-4-methylbenzamid [German] [ACD/IUPAC Name]
Benzamide, 3-[8-(2,6-difluorophenyl)-2-[[2-(dimethylamino)ethyl]methylamino]-5,6,7,8-tetrahydro-7-oxopyrimido[4,5-d]pyrimidin-4-yl]-N-(4-fluorophenyl)-4-methyl- [ACD/Index 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: 1.637
Molar Refractivity: 157.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 1.94
ACD/KOC (pH 5.5): 8.93
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 72.07
ACD/KOC (pH 7.4): 331.92
Polar Surface Area: 94 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 438.3±3.0 cm3

Click to predict properties on the Chemicalize site


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