ChemSpider 2D Image | trans-N-{3-[7-{[3-(Acryloylamino)-4-methylphenyl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-4-methylcyclohexanecarboxamide | C32H37N7O3

trans-N-{3-[7-{[3-(Acryloylamino)-4-methylphenyl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-4-methylcyclohexanecarboxamide

  • Molecular FormulaC32H37N7O3
  • Average mass567.681 Da
  • Monoisotopic mass567.295776 Da
  • ChemSpider ID76803370

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanecarboxamide, N-[3-[1,4-dihydro-1-methyl-7-[[4-methyl-3-[(1-oxo-2-propen-1-yl)amino]phenyl]amino]-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl]-4-methyl-, trans- [ACD/Index Name]
trans-N-{3-[7-{[3-(Acryloylamino)-4-methylphenyl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-4-methylcyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-N-{3-[7-{[3-(Acryloylamino)-4-methylphenyl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-4-methylcyclohexanecarboxamide [ACD/IUPAC Name]
trans-N-{3-[7-{[3-(Acryloylamino)-4-méthylphényl]amino}-1-méthyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-méthylphényl}-4-méthylcyclohexanecarboxamide [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: 1.659
Molar Refractivity: 163.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 971.32
ACD/KOC (pH 5.5): 4099.82
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1655.24
ACD/KOC (pH 7.4): 6986.59
Polar Surface Area: 120 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 444.4±3.0 cm3

Click to predict properties on the Chemicalize site


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