ChemSpider 2D Image | Methyl 4-(3-ethoxy-4-{2-hydroxy-2-[(2E)-2-{[5-(2-methyl-5-nitrophenyl)-2-furyl]methylene}hydrazino]ethoxy}phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C29H31N5O9

Methyl 4-(3-ethoxy-4-{2-hydroxy-2-[(2E)-2-{[5-(2-methyl-5-nitrophenyl)-2-furyl]methylene}hydrazino]ethoxy}phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC29H31N5O9
  • Average mass593.584 Da
  • Monoisotopic mass593.212158 Da
  • ChemSpider ID81328773
  • Double-bond stereo - Double-bond stereo


More details:






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

4-(3-Éthoxy-4-{2-hydroxy-2-[(2E)-2-{[5-(2-méthyl-5-nitrophényl)-2-furyl]méthylène}hydrazino]éthoxy}phényl)-6-méthyl-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-[3-ethoxy-4-[2-hydroxy-2-[(2E)-2-[[5-(2-methyl-5-nitrophenyl)-2-furanyl]methylene]hydrazinyl]ethoxy]phenyl]-1,2,3,4-tetrahydro-6-methyl-2-oxo-, methyl ester [ACD/Index Name]
Methyl 4-(3-ethoxy-4-{2-hydroxy-2-[(2E)-2-{[5-(2-methyl-5-nitrophenyl)-2-furyl]methylene}hydrazino]ethoxy}phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-4-(3-ethoxy-4-{2-hydroxy-2-[(2E)-2-{[5-(2-methyl-5-nitrophenyl)-2-furyl]methylen}hydrazino]ethoxy}phenyl)-6-methyl-2-oxo-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: 1.4±0.1 g/cm3
Boiling Point: 769.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 419.0±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 151.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 163.93
ACD/KOC (pH 5.5): 1339.27
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 163.86
ACD/KOC (pH 7.4): 1338.67
Polar Surface Area: 189 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 422.9±7.0 cm3

Click to predict properties on the Chemicalize site






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