ChemSpider 2D Image | 1-{[5-(4-Morpholinylsulfonyl)-1-propyl-1H-benzimidazol-2-yl]methyl}-3-(trifluoromethyl)-2(1H)-pyridinone | C21H23F3N4O4S

1-{[5-(4-Morpholinylsulfonyl)-1-propyl-1H-benzimidazol-2-yl]methyl}-3-(trifluoromethyl)-2(1H)-pyridinone

  • Molecular FormulaC21H23F3N4O4S
  • Average mass484.492 Da
  • Monoisotopic mass484.139221 Da
  • ChemSpider ID30524992

More details:

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

1-{[5-(4-Morpholinylsulfonyl)-1-propyl-1H-benzimidazol-2-yl]methyl}-3-(trifluormethyl)-2(1H)-pyridinon [German] [ACD/IUPAC Name]
1-{[5-(4-Morpholinylsulfonyl)-1-propyl-1H-benzimidazol-2-yl]methyl}-3-(trifluoromethyl)-2(1H)-pyridinone [ACD/IUPAC Name]
1-{[5-(4-Morpholinylsulfonyl)-1-propyl-1H-benzimidazol-2-yl]méthyl}-3-(trifluorométhyl)-2(1H)-pyridinone [French] [ACD/IUPAC Name]
2(1H)-Pyridinone, 1-[[5-(4-morpholinylsulfonyl)-1-propyl-1H-benzimidazol-2-yl]methyl]-3-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 659.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.6±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.30
ACD/KOC (pH 5.5): 494.55
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.69
ACD/KOC (pH 7.4): 511.13
Polar Surface Area: 93 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 330.6±7.0 cm3

Click to predict properties on the Chemicalize site


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