ChemSpider 2D Image | Ethyl 16-(2-methoxyethyl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxylate | C24H37N3O6

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

  • Molecular FormulaC24H37N3O6
  • Average mass463.567 Da
  • Monoisotopic mass463.268250 Da
  • ChemSpider ID78871385

More details:

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

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]
2-Oxa-5,9,14-triazabicyclo[16.2.2]docosa-18,20,21-triene-16-carboxylic acid, 16-(2-methoxyethyl)-4,13-dioxo-, ethyl ester [ACD/Index Name]
Ethyl 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-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: 691.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 372.1±31.5 °C
Index of Refraction: 1.479
Molar Refractivity: 123.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 434.2±3.0 cm3

Click to predict properties on the Chemicalize site


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