ChemSpider 2D Image | 3-((5-Chloro-1-(3-(methylsulfonyl)propyl)-1H-indol-2-yl)methyl)-1-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one | C21H20ClF3N4O3S

3-((5-Chloro-1-(3-(methylsulfonyl)propyl)-1H-indol-2-yl)methyl)-1-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one

  • Molecular FormulaC21H20ClF3N4O3S
  • Average mass500.922 Da
  • Monoisotopic mass500.089661 Da
  • ChemSpider ID58810205

More details:

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

1383450-81-4 [RN]
2H-Imidazo[4,5-c]pyridin-2-one, 3-[[5-chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl]methyl]-1,3-dihydro-1-(2,2,2-trifluoroethyl)- [ACD/Index Name]
3-((5-Chloro-1-(3-(methylsulfonyl)propyl)-1H-indol-2-yl)methyl)-1-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one
3-({5-Chlor-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluorethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-on [German] [ACD/IUPAC Name]
3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one [ACD/IUPAC Name]
3-({5-Chloro-1-[3-(méthylsulfonyl)propyl]-1H-indol-2-yl}méthyl)-1-(2,2,2-trifluoroéthyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one [French] [ACD/IUPAC Name]
3-[[5-Chloranyl-1-(3-Methylsulfonylpropyl)indol-2-Yl]methyl]-1-[2,2,2-Tris(Fluoranyl)ethyl]imidazo[4,5-C]pyridin-2-One
3-{[5-chloro-1-(3-methanesulfonylpropyl)-1H-indol-2-yl]methyl}-1-(2,2,2-trifluoroethyl)-1H,2H,3H-imidazo[4,5-c]pyridin-2-one
3-{[5-chloro-1-(3-methanesulfonylpropyl)indol-2-yl]methyl}-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one
6YA
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 672.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.5±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 24.52
ACD/KOC (pH 5.5): 186.83
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 191.01
ACD/KOC (pH 7.4): 1455.19
Polar Surface Area: 84 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 333.4±7.0 cm3

Click to predict properties on the Chemicalize site


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