ChemSpider 2D Image | 10-{[4-(4-Bromophenyl)-3-(ethoxycarbonyl)-2-thienyl]amino}-10-oxodecanoic acid | C23H28BrNO5S

10-{[4-(4-Bromophenyl)-3-(ethoxycarbonyl)-2-thienyl]amino}-10-oxodecanoic acid

  • Molecular FormulaC23H28BrNO5S
  • Average mass510.441 Da
  • Monoisotopic mass509.087158 Da
  • ChemSpider ID120218834

More details:

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

10-{[4-(4-Bromophenyl)-3-(ethoxycarbonyl)-2-thienyl]amino}-10-oxodecanoic acid [ACD/IUPAC Name]
10-{[4-(4-Bromphenyl)-3-(ethoxycarbonyl)-2-thienyl]amino}-10-oxodecansäure [German] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 4-(4-bromophenyl)-2-[(9-carboxy-1-oxononyl)amino]-, 3-ethyl ester [ACD/Index Name]
Acide 10-{[4-(4-bromophényl)-3-(éthoxycarbonyl)-2-thiényl]amino}-10-oxodécanoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 675.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.3±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 126.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 4550.35
ACD/KOC (pH 5.5): 8572.19
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 72.96
ACD/KOC (pH 7.4): 137.44
Polar Surface Area: 121 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 374.5±3.0 cm3

Click to predict properties on the Chemicalize site


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