ChemSpider 2D Image | N-{4-Methyl-3-[1-methyl-7-(methylamino)-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]phenyl}-3-(4-morpholinyl)-5-(trifluoromethyl)benzamide | C27H28F3N7O3

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

  • Molecular FormulaC27H28F3N7O3
  • Average mass555.552 Da
  • Monoisotopic mass555.220581 Da
  • ChemSpider ID9459317

More details:

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

Benzamide, N-[3-[1,4-dihydro-1-methyl-7-(methylamino)-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl]-3-(4-morpholinyl)-5-(trifluoromethyl)- [ACD/Index Name]
N-{4-Methyl-3-[1-methyl-7-(methylamino)-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]phenyl}-3-(4-morpholinyl)-5-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-{4-Methyl-3-[1-methyl-7-(methylamino)-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]phenyl}-3-(4-morpholinyl)-5-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-{4-Méthyl-3-[1-méthyl-7-(méthylamino)-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]phényl}-3-(4-morpholinyl)-5-(trifluorométhyl)benzamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 142.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 17.51
ACD/KOC (pH 5.5): 156.99
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 110.12
ACD/KOC (pH 7.4): 987.19
Polar Surface Area: 103 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 396.9±3.0 cm3

Click to predict properties on the Chemicalize site


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