ChemSpider 2D Image | 4-Bromo-3-(carboxymethoxy)-5-{4-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}-2-thiophenecarboxylic acid | C23H28BrNO5S

4-Bromo-3-(carboxymethoxy)-5-{4-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}-2-thiophenecarboxylic acid

  • Molecular FormulaC23H28BrNO5S
  • Average mass510.441 Da
  • Monoisotopic mass509.087158 Da
  • ChemSpider ID23276146

More details:

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

2-Thiophenecarboxylic acid, 4-bromo-3-(carboxymethoxy)-5-[4-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]- [ACD/Index Name]
4-Brom-3-(carboxymethoxy)-5-{4-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-Bromo-3-(carboxymethoxy)-5-{4-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
4-bromo-3-(carboxymethoxy)-5-{4-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid
Acide 4-bromo-3-(carboxyméthoxy)-5-{4-[(3,3,5,5-tétraméthylcyclohexyl)amino]phényl}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
4-bromo-3-(carboxymethoxy)-5-(4-(3,3,5,5-tetramethylcyclohexylamino)phenyl)thiophene-2-carboxylic acid
Monocyclic thiophene analog 35

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

Density: 1.4±0.1 g/cm3
Boiling Point: 620.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.2±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 126.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 2.74
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 366.8±3.0 cm3

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