ChemSpider 2D Image | N-(4-{[3-(3,5-Dimethoxyphenyl)-7-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide | C35H40N8O4

N-(4-{[3-(3,5-Dimethoxyphenyl)-7-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide

  • Molecular FormulaC35H40N8O4
  • Average mass636.743 Da
  • Monoisotopic mass636.317261 Da
  • ChemSpider ID35035080

More details:






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

N-(4-{[3-(3,5-Dimethoxyphenyl)-7-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamid [German] [ACD/IUPAC Name]
N-(4-{[3-(3,5-Dimethoxyphenyl)-7-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide [ACD/IUPAC Name]
N-(4-{[3-(3,5-Diméthoxyphényl)-7-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]méthyl}phényl)propanamide [French] [ACD/IUPAC Name]
N-(4-{[3-(3,5-Dimethoxyphenyl)-7-{[4-(4-Methylpiperazin-1-Yl)phenyl]amino}-2-Oxo-3,4-Dihydropyrimido[4,5-D]pyrimidin-1(2h)-Yl]methyl}phenyl)propanamide
Propanamide, N-[4-[[3-(3,5-dimethoxyphenyl)-3,4-dihydro-7-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-2-oxopyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl]phenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 181.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.36
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 47.82
ACD/KOC (pH 7.4): 363.64
Polar Surface Area: 115 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 490.8±3.0 cm3

Click to predict properties on the Chemicalize site






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