ChemSpider 2D Image | 5-{3-[Benzoyl(cyclohexyl)amino]phenyl}-4-bromo-3-(carboxymethoxy)-2-thiophenecarboxylic acid | C26H24BrNO6S

5-{3-[Benzoyl(cyclohexyl)amino]phenyl}-4-bromo-3-(carboxymethoxy)-2-thiophenecarboxylic acid

  • Molecular FormulaC26H24BrNO6S
  • Average mass558.441 Da
  • Monoisotopic mass557.050781 Da
  • ChemSpider ID25056599

More details:

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

2-Thiophenecarboxylic acid, 5-[3-(benzoylcyclohexylamino)phenyl]-4-bromo-3-(carboxymethoxy)- [ACD/Index Name]
4-Bromo-3-(Carboxymethoxy)-5-{3-[cyclohexyl(Phenylcarbonyl)amino]phenyl}thiophene-2-Carboxylic Acid
5-{3-[Benzoyl(cyclohexyl)amino]phenyl}-4-brom-3-(carboxymethoxy)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-{3-[Benzoyl(cyclohexyl)amino]phenyl}-4-bromo-3-(carboxymethoxy)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-{3-[benzoyl(cyclohexyl)amino]phényl}-4-bromo-3-(carboxyméthoxy)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
α,β-Cyclopentamethylenetetrazole

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

Density: 1.5±0.1 g/cm3
Boiling Point: 730.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 395.8±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 368.0±3.0 cm3

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