ChemSpider 2D Image | Ethyl 16-(2-methoxyethyl)-9-{[5-(2-methyl-1,3-thiazol-4-yl)-2-thienyl]carbonyl}-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxylate | C33H42N4O7S2

Ethyl 16-(2-methoxyethyl)-9-{[5-(2-methyl-1,3-thiazol-4-yl)-2-thienyl]carbonyl}-4,13-dioxo-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxylate

  • Molecular FormulaC33H42N4O7S2
  • Average mass670.839 Da
  • Monoisotopic mass670.249512 Da
  • ChemSpider ID81369786

More details:

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

16-(2-Méthoxyéthyl)-9-{[5-(2-méthyl-1,3-thiazol-4-yl)-2-thiényl]carbonyl}-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)-9-[[5-(2-methyl-4-thiazolyl)-2-thienyl]carbonyl]-4,13-dioxo-, ethyl ester [ACD/Index Name]
Ethyl 16-(2-methoxyethyl)-9-{[5-(2-methyl-1,3-thiazol-4-yl)-2-thienyl]carbonyl}-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)-9-{[5-(2-methyl-1,3-thiazol-4-yl)-2-thienyl]carbonyl}-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: 1.2±0.1 g/cm3
Boiling Point: 893.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.9±3.0 kJ/mol
Flash Point: 494.2±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 177.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.24
ACD/KOC (pH 5.5): 859.48
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 88.31
ACD/KOC (pH 7.4): 860.13
Polar Surface Area: 193 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 560.0±3.0 cm3

Click to predict properties on the Chemicalize site


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