ChemSpider 2D Image | Ethyl 6-[({(2E)-3-[5-chloro-3-methyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2-propenoyl}oxy)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C29H29ClN4O5

Ethyl 6-[({(2E)-3-[5-chloro-3-methyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2-propenoyl}oxy)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC29H29ClN4O5
  • Average mass549.017 Da
  • Monoisotopic mass548.182678 Da
  • ChemSpider ID10919935

  • Double-bond stereo - Double-bond stereo

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[[(2E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl]-1-oxo-2-propen-1-yl]oxy]methyl]-1,2,3,4-tetrahydro-2-oxo-4-phenyl-, ethyl ester [ACD/Index Name]
6-[({(2E)-3-[5-Chloro-3-méthyl-1-(4-méthylbenzyl)-1H-pyrazol-4-yl]-2-propenoyl}oxy)méthyl]-2-oxo-4-phényl-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-[({(2E)-3-[5-chloro-3-methyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2-propenoyl}oxy)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-[({(2E)-3-[5-chlor-3-methyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-2-propenoyl}oxy)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [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: 702.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.7±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 148.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4111.69
ACD/KOC (pH 5.5): 13443.34
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4106.65
ACD/KOC (pH 7.4): 13426.85
Polar Surface Area: 112 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 421.1±7.0 cm3

Click to predict properties on the Chemicalize site


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