ChemSpider 2D Image | 1-(2,6-Dichloro-3,5-dimethoxyphenyl)-3-(6-{[4-(4-ethyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1-methylurea | C26H31Cl2N7O3

1-(2,6-Dichloro-3,5-dimethoxyphenyl)-3-(6-{[4-(4-ethyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1-methylurea

  • Molecular FormulaC26H31Cl2N7O3
  • Average mass560.475 Da
  • Monoisotopic mass559.186523 Da
  • ChemSpider ID32780754

More details:

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

1-(2,6-Dichlor-3,5-dimethoxyphenyl)-3-(6-{[4-(4-ethyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1-methylharnstoff [German] [ACD/IUPAC Name]
1-(2,6-Dichloro-3,5-dimethoxyphenyl)-3-(6-{[4-(4-ethyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1-methylurea [ACD/IUPAC Name]
1-(2,6-Dichloro-3,5-diméthoxyphényl)-3-(6-{[4-(4-éthyl-1-pipérazinyl)phényl]amino}-4-pyrimidinyl)-1-méthylurée [French] [ACD/IUPAC Name]
Urea, N-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-[6-[[4-(4-ethyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]-N-methyl- [ACD/Index Name]
1-(2,6-dichloro-3,5-dimethoxyphenyl)-3-(6-(4-(4-ethylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)-1-methylurea
872511-34-7 [RN]
MFCD22631499

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 767.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.0±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 27.99
ACD/KOC (pH 5.5): 84.16
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 1874.33
ACD/KOC (pH 7.4): 5636.58
Polar Surface Area: 95 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 413.7±3.0 cm3

Click to predict properties on the Chemicalize site


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