ChemSpider 2D Image | N-(2,5-Difluorophenyl)-2-[4-oxo-7-(1-piperidinyl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]butanamide | C21H22F2N6O2

N-(2,5-Difluorophenyl)-2-[4-oxo-7-(1-piperidinyl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]butanamide

  • Molecular FormulaC21H22F2N6O2
  • Average mass428.435 Da
  • Monoisotopic mass428.177216 Da
  • ChemSpider ID29176995

More details:

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

N-(2,5-Difluorophenyl)-2-[4-oxo-7-(1-piperidinyl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]butanamide [ACD/IUPAC Name]
N-(2,5-Difluorophényl)-2-[4-oxo-7-(1-pipéridinyl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]butanamide [French] [ACD/IUPAC Name]
N-(2,5-Difluorphenyl)-2-[4-oxo-7-(1-piperidinyl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]butanamid [German] [ACD/IUPAC Name]
Pyrimido[4,5-d]pyrimidine-3(4H)-acetamide, N-(2,5-difluorophenyl)-α-ethyl-4-oxo-7-(1-piperidinyl)- [ACD/Index Name]
N1-(2,5-difluorophenyl)-2-[4-oxo-7-piperidinopyrimido[4,5-d]pyrimidin-3(4H)-yl]butanamide

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: 1.669
Molar Refractivity: 110.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.40
ACD/KOC (pH 5.5): 612.11
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.66
ACD/KOC (pH 7.4): 625.96
Polar Surface Area: 91 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 296.3±7.0 cm3

Click to predict properties on the Chemicalize site


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