ChemSpider 2D Image | (2Z)-3-{2-Amino-4-ethoxy-6-[(4-methoxyphenyl)(methyl)amino]-5-pyrimidinyl}-1-phenyl-2-propen-1-one | C23H24N4O3

(2Z)-3-{2-Amino-4-ethoxy-6-[(4-methoxyphenyl)(methyl)amino]-5-pyrimidinyl}-1-phenyl-2-propen-1-one

  • Molecular FormulaC23H24N4O3
  • Average mass404.462 Da
  • Monoisotopic mass404.184845 Da
  • ChemSpider ID30654089

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-{2-Amino-4-ethoxy-6-[(4-methoxyphenyl)(methyl)amino]-5-pyrimidinyl}-1-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2Z)-3-{2-Amino-4-ethoxy-6-[(4-methoxyphenyl)(methyl)amino]-5-pyrimidinyl}-1-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2Z)-3-{2-Amino-4-éthoxy-6-[(4-méthoxyphényl)(méthyl)amino]-5-pyrimidinyl}-1-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[2-amino-4-ethoxy-6-[(4-methoxyphenyl)methylamino]-5-pyrimidinyl]-1-phenyl-, (2Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 667.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.4±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 427.86
ACD/KOC (pH 5.5): 2542.07
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 501.60
ACD/KOC (pH 7.4): 2980.23
Polar Surface Area: 91 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 327.6±3.0 cm3

Click to predict properties on the Chemicalize site


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