ChemSpider 2D Image | 2-Ethyl-7-[4-(methylsulfanyl)-2-(trifluoromethyl)phenyl]-3-(2-pentanyl)-3H-imidazo[4,5-b]pyridine | C21H24F3N3S

2-Ethyl-7-[4-(methylsulfanyl)-2-(trifluoromethyl)phenyl]-3-(2-pentanyl)-3H-imidazo[4,5-b]pyridine

  • Molecular FormulaC21H24F3N3S
  • Average mass407.496 Da
  • Monoisotopic mass407.164307 Da
  • ChemSpider ID23121361

More details:

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

2-Ethyl-7-[4-(methylsulfanyl)-2-(trifluormethyl)phenyl]-3-(2-pentanyl)-3H-imidazo[4,5-b]pyridin [German] [ACD/IUPAC Name]
2-Ethyl-7-[4-(methylsulfanyl)-2-(trifluoromethyl)phenyl]-3-(2-pentanyl)-3H-imidazo[4,5-b]pyridine [ACD/IUPAC Name]
2-Éthyl-7-[4-(méthylsulfanyl)-2-(trifluorométhyl)phényl]-3-(2-pentanyl)-3H-imidazo[4,5-b]pyridine [French] [ACD/IUPAC Name]
2-ethyl-7-[4-(methylsulfanyl)-2-(trifluoromethyl)phenyl]-3-(pentan-2-yl)-3H-imidazo[4,5-b]pyridine
3H-Imidazo[4,5-b]pyridine, 2-ethyl-3-(1-methylbutyl)-7-[4-(methylthio)-2-(trifluoromethyl)phenyl]- [ACD/Index Name]
2-Ethyl-3-(1-methyl-butyl)-7-(4-methylsulfanyl-2-trifluoromethyl-phenyl)-3H-imidazo[4,5-b]pyridine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL282289/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 524.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 271.1±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 109.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 23895.57
ACD/KOC (pH 5.5): 45422.24
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27662.48
ACD/KOC (pH 7.4): 52582.64
Polar Surface Area: 56 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 36.0±7.0 dyne/cm
Molar Volume: 330.3±7.0 cm3

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