ChemSpider 2D Image | Ethyl 8-acetyl-19-methoxy-15-(3-methylbutyl)-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.2.2]henicosa-1(19),17,20-triene-15-carboxylate | C28H43N3O7

Ethyl 8-acetyl-19-methoxy-15-(3-methylbutyl)-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.2.2]henicosa-1(19),17,20-triene-15-carboxylate

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID81370333

More details:

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

2-Oxa-5,8,13-triazabicyclo[15.2.2]heneicosa-17,19,20-triene-15-carboxylic acid, 8-acetyl-19-methoxy-15-(3-methylbutyl)-4,12-dioxo-, ethyl ester [ACD/Index Name]
8-Acétyl-19-méthoxy-15-(3-méthylbutyl)-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.2.2]hénicosa-1(19),17,20-triène-15-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 8-acetyl-19-methoxy-15-(3-methylbutyl)-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.2.2]henicosa-1(19),17,20-triene-15-carboxylate [ACD/IUPAC Name]
Ethyl-8-acetyl-19-methoxy-15-(3-methylbutyl)-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.2.2]henicosa-1(19),17,20-trien-15-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: 763.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.5±32.9 °C
Index of Refraction: 1.487
Molar Refractivity: 142.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.08
ACD/KOC (pH 5.5): 359.25
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.08
ACD/KOC (pH 7.4): 359.25
Polar Surface Area: 123 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 493.8±3.0 cm3

Click to predict properties on the Chemicalize site


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