ChemSpider 2D Image | 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxylic acid | C22H17F3N2O5S

5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxylic acid

  • Molecular FormulaC22H17F3N2O5S
  • Average mass478.441 Da
  • Monoisotopic mass478.081024 Da
  • ChemSpider ID24697359

More details:

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

2-Thiophenecarboxylic acid, 5-(5,6-dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]- [ACD/Index Name]
5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluormethyl)benzyl]oxy}-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-(5,6-diméthoxy-1H-benzimidazol-1-yl)-3-{[2-(trifluorométhyl)benzyl]oxy}-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
benzimidazole thiophene analogue, 52
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL474432/
Kinome_3461

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

Density: 1.5±0.1 g/cm3
Boiling Point: 633.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 337.2±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 114.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 8.42
ACD/KOC (pH 5.5): 38.47
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.55
Polar Surface Area: 111 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 328.7±7.0 cm3

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