ChemSpider 2D Image | Methyl 2-({6-[(3-ethoxy-3-oxopropyl)(2-furylmethyl)amino]-5-nitro-4-pyrimidinyl}oxy)-4-methoxybenzoate | C23H24N4O9

Methyl 2-({6-[(3-ethoxy-3-oxopropyl)(2-furylmethyl)amino]-5-nitro-4-pyrimidinyl}oxy)-4-methoxybenzoate

  • Molecular FormulaC23H24N4O9
  • Average mass500.458 Da
  • Monoisotopic mass500.154327 Da
  • ChemSpider ID3544171

More details:

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

2-({6-[(3-Éthoxy-3-oxopropyl)(2-furylméthyl)amino]-5-nitro-4-pyrimidinyl}oxy)-4-méthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[6-[(3-ethoxy-3-oxopropyl)(2-furanylmethyl)amino]-5-nitro-4-pyrimidinyl]oxy]-4-methoxy-, methyl ester [ACD/Index Name]
Methyl 2-({6-[(3-ethoxy-3-oxopropyl)(2-furylmethyl)amino]-5-nitro-4-pyrimidinyl}oxy)-4-methoxybenzoate [ACD/IUPAC Name]
Methyl-2-({6-[(3-ethoxy-3-oxopropyl)(2-furylmethyl)amino]-5-nitro-4-pyrimidinyl}oxy)-4-methoxybenzoat [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: 652.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.2±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 125.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 580.57
ACD/KOC (pH 5.5): 3311.06
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 580.57
ACD/KOC (pH 7.4): 3311.09
Polar Surface Area: 159 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 371.2±3.0 cm3

Click to predict properties on the Chemicalize site


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