ChemSpider 2D Image | Ethyl 9-acetyl-16-(2-methoxyethyl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxylate | C26H39N3O7

Ethyl 9-acetyl-16-(2-methoxyethyl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxylate

  • Molecular FormulaC26H39N3O7
  • Average mass505.604 Da
  • Monoisotopic mass505.278809 Da
  • ChemSpider ID81378107

More details:

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

2-Oxa-5,9,14-triazabicyclo[16.2.2]docosa-18,20,21-triene-16-carboxylic acid, 9-acetyl-16-(2-methoxyethyl)-4,13-dioxo-, ethyl ester [ACD/Index Name]
9-Acétyl-16-(2-méthoxyéthyl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triène-16-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 9-acetyl-16-(2-methoxyethyl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxylate [ACD/IUPAC Name]
Ethyl-9-acetyl-16-(2-methoxyethyl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 750.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.9±32.9 °C
Index of Refraction: 1.487
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.28
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.51
ACD/KOC (pH 5.5): 67.21
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.51
ACD/KOC (pH 7.4): 67.21
Polar Surface Area: 123 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 460.5±3.0 cm3

Click to predict properties on the Chemicalize site


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