ChemSpider 2D Image | N-(2,6-Dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl}amino)-5-pyrimidinecarboxamide | C33H38N6O4

N-(2,6-Dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl}amino)-5-pyrimidinecarboxamide

  • Molecular FormulaC33H38N6O4
  • Average mass582.693 Da
  • Monoisotopic mass582.295471 Da
  • ChemSpider ID25057186

More details:






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

5-Pyrimidinecarboxamide, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-[[4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl]amino]- [ACD/Index Name]
N-(2,6-Dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl}amino)-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
N-(2,6-Dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl}amino)-5-pyrimidinecarboxamide [ACD/IUPAC Name]
N-(2,6-Diméthylphényl)-4-(2-éthoxyphénoxy)-2-({4-[4-(2-hydroxyéthyl)-1-pipérazinyl]phényl}amino)-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide
T95

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: 1.648
Molar Refractivity: 168.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 10.60
ACD/KOC (pH 5.5): 62.08
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 318.74
ACD/KOC (pH 7.4): 1867.18
Polar Surface Area: 112 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 462.8±3.0 cm3

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