ChemSpider 2D Image | Ethyl 6-({[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)carbonyl]oxy}methyl)-4-(2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C22H21ClN2O8

Ethyl 6-({[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)carbonyl]oxy}methyl)-4-(2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC22H21ClN2O8
  • Average mass476.864 Da
  • Monoisotopic mass476.098633 Da
  • ChemSpider ID31060419

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)carbonyl]oxy]methyl]-4-(2-furanyl)-1,2,3,4-tetrahydro-2-oxo-, ethyl ester [ACD/Index Name]
6-({[(9-Chloro-3,4-dihydro-2H-1,5-benzodioxépin-7-yl)carbonyl]oxy}méthyl)-4-(2-furyl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-({[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)carbonyl]oxy}methyl)-4-(2-furyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-({[(9-chlor-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)carbonyl]oxy}methyl)-4-(2-furyl)-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: 636.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 338.9±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 318.75
ACD/KOC (pH 5.5): 2155.63
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 318.01
ACD/KOC (pH 7.4): 2150.57
Polar Surface Area: 125 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 347.3±3.0 cm3

Click to predict properties on the Chemicalize site


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