ChemSpider 2D Image | Ethyl 16-(2-methoxyethyl)-4,13-dioxo-9-(1,2-thiazol-4-ylcarbonyl)-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxylate | C28H38N4O7S

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

  • Molecular FormulaC28H38N4O7S
  • Average mass574.689 Da
  • Monoisotopic mass574.246094 Da
  • ChemSpider ID81370663

More details:

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

16-(2-Méthoxyéthyl)-4,13-dioxo-9-(1,2-thiazol-4-ylcarbonyl)-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, 9-(4-isothiazolylcarbonyl)-16-(2-methoxyethyl)-4,13-dioxo-, ethyl ester [ACD/Index Name]
Ethyl 16-(2-methoxyethyl)-4,13-dioxo-9-(1,2-thiazol-4-ylcarbonyl)-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-9-(1,2-thiazol-4-ylcarbonyl)-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-carboxylat [German] [ACD/IUPAC Name]
ethyl 9-(4-isothiazolylcarbonyl)-16-(2-methoxyethyl)-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 761.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.2±32.9 °C
Index of Refraction: 1.523
Molar Refractivity: 149.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.98
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.51
ACD/KOC (pH 5.5): 102.21
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.51
ACD/KOC (pH 7.4): 102.31
Polar Surface Area: 164 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 489.0±3.0 cm3

Click to predict properties on the Chemicalize site


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