ChemSpider 2D Image | 2-{[1-(Difluoromethyl)-1H-benzimidazol-2-yl]sulfanyl}-N-methyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide | C21H21F2N3OS

2-{[1-(Difluoromethyl)-1H-benzimidazol-2-yl]sulfanyl}-N-methyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide

  • Molecular FormulaC21H21F2N3OS
  • Average mass401.473 Da
  • Monoisotopic mass401.137329 Da
  • ChemSpider ID30620855

More details:

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

2-{[1-(Difluormethyl)-1H-benzimidazol-2-yl]sulfanyl}-N-methyl-N-(1,2,3,4-tetrahydro-1-naphthalinyl)acetamid [German] [ACD/IUPAC Name]
2-{[1-(Difluorométhyl)-1H-benzimidazol-2-yl]sulfanyl}-N-méthyl-N-(1,2,3,4-tétrahydro-1-naphtalényl)acétamide [French] [ACD/IUPAC Name]
2-{[1-(Difluoromethyl)-1H-benzimidazol-2-yl]sulfanyl}-N-methyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide [ACD/IUPAC Name]
Acetamide, 2-[[1-(difluoromethyl)-1H-benzimidazol-2-yl]thio]-N-methyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 560.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.5±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 108.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1139.74
ACD/KOC (pH 5.5): 5365.84
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1139.96
ACD/KOC (pH 7.4): 5366.87
Polar Surface Area: 63 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 299.5±7.0 cm3

Click to predict properties on the Chemicalize site


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