ChemSpider 2D Image | 4-Bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}-2-thiophenecarboxylic acid | C21H23BrN2O6S

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

  • Molecular FormulaC21H23BrN2O6S
  • Average mass511.386 Da
  • Monoisotopic mass510.046021 Da
  • ChemSpider ID25060429

More details:

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

2-Thiophenecarboxylic acid, 4-bromo-3-(carboxymethoxy)-5-[3-[cyclohexyl[(methylamino)carbonyl]amino]phenyl]- [ACD/Index Name]
4-Brom-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-Bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
4-Bromo-3-(Carboxymethoxy)-5-{3-[cyclohexyl(Methylcarbamoyl)amino]phenyl}thiophene-2-Carboxylic Acid
Acide 4-bromo-3-(carboxyméthoxy)-5-{3-[cyclohexyl(méthylcarbamoyl)amino]phényl}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
35B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 735.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 398.6±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 331.0±3.0 cm3

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