ChemSpider 2D Image | 4-(Difluoromethoxy)benzyl N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-beta-alaninate | C16H19F2N3O5S

4-(Difluoromethoxy)benzyl N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-β-alaninate

  • Molecular FormulaC16H19F2N3O5S
  • Average mass403.401 Da
  • Monoisotopic mass403.101349 Da
  • ChemSpider ID70908397

More details:

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

4-(Difluormethoxy)benzyl-N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-β-alaninat [German] [ACD/IUPAC Name]
4-(Difluoromethoxy)benzyl N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-β-alaninate [ACD/IUPAC Name]
N-[(1,2-Diméthyl-1H-imidazol-4-yl)sulfonyl]-β-alaninate de 4-(difluorométhoxy)benzyle [French] [ACD/IUPAC Name]
β-Alanine, N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-, [4-(difluoromethoxy)phenyl]methyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 579.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.5±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 94.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.84
ACD/KOC (pH 5.5): 137.48
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.88
ACD/KOC (pH 7.4): 138.38
Polar Surface Area: 108 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 287.9±7.0 cm3

Click to predict properties on the Chemicalize site


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