ChemSpider 2D Image | 5-(1H-Benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}-2-thiophenecarboxamide | C21H16F3N3O2S

5-(1H-Benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}-2-thiophenecarboxamide

  • Molecular FormulaC21H16F3N3O2S
  • Average mass431.431 Da
  • Monoisotopic mass431.091522 Da
  • ChemSpider ID26325584
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Thiophenecarboxamide, 5-(1H-benzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]- [ACD/Index Name]
5-(1H-Benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluormethyl)phenyl]ethoxy}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
5-(1H-Benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}-2-thiophenecarboxamide [ACD/IUPAC Name]
5-(1H-Benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluorométhyl)phényl]éthoxy}-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
5-(1h-Benzimidazol-1-Yl)-3-{(1r)-1-[2-(Trifluoromethyl)phenyl]ethoxy}thiophene-2-Carboxamide
430

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 571.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.3±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 108.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 813.84
ACD/KOC (pH 5.5): 4209.84
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 818.42
ACD/KOC (pH 7.4): 4233.52
Polar Surface Area: 98 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 300.1±7.0 cm3

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