ChemSpider 2D Image | N-[4-(Benzyloxy)-3-chlorophenyl]-5-[(Z)-{[2-(4-morpholinyl)ethoxy]imino}methyl]-4,6-pyrimidinediamine | C24H27ClN6O3

N-[4-(Benzyloxy)-3-chlorophenyl]-5-[(Z)-{[2-(4-morpholinyl)ethoxy]imino}methyl]-4,6-pyrimidinediamine

  • Molecular FormulaC24H27ClN6O3
  • Average mass482.963 Da
  • Monoisotopic mass482.183319 Da
  • ChemSpider ID95733701

More details:

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

5-Pyrimidinecarboxaldehyde, 4-amino-6-[[3-chloro-4-(phenylmethoxy)phenyl]amino]-, O-[2-(4-morpholinyl)ethyl]oxime [ACD/Index Name]
N-[4-(Benzyloxy)-3-chlorophenyl]-5-[(Z)-{[2-(4-morpholinyl)ethoxy]imino}methyl]-4,6-pyrimidinediamine [ACD/IUPAC Name]
N-[4-(Benzyloxy)-3-chlorophényl]-5-[(Z)-{[2-(4-morpholinyl)éthoxy]imino}méthyl]-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
N-[4-(Benzyloxy)-3-chlorphenyl]-5-[(Z)-{[2-(4-morpholinyl)ethoxy]imino}methyl]-4,6-pyrimidindiamin [German] [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: 660.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.1±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 129.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 92.21
ACD/KOC (pH 5.5): 383.66
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1474.44
ACD/KOC (pH 7.4): 6134.73
Polar Surface Area: 107 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 359.7±7.0 cm3

Click to predict properties on the Chemicalize site


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