ChemSpider 2D Image | N-{2-[5-(1,3-Benzodioxol-5-yl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-4-(trifluoromethyl)benzamide | C25H20F3N3O4S

N-{2-[5-(1,3-Benzodioxol-5-yl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-4-(trifluoromethyl)benzamide

  • Molecular FormulaC25H20F3N3O4S
  • Average mass515.504 Da
  • Monoisotopic mass515.112671 Da
  • ChemSpider ID22602095

More details:

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

Benzamide, N-[2-[5-(1,3-benzodioxol-5-yl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]-N-methyl-4-(trifluoromethyl)- [ACD/Index Name]
N-{2-[5-(1,3-Benzodioxol-5-yl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-4-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-{2-[5-(1,3-Benzodioxol-5-yl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methyl-4-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-{2-[5-(1,3-Benzodioxol-5-yl)-3-(2-thiényl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoéthyl}-N-méthyl-4-(trifluorométhyl)benzamide [French] [ACD/IUPAC 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: 637.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.1±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 128.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.76
ACD/KOC (pH 5.5): 1492.74
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.76
ACD/KOC (pH 7.4): 1492.74
Polar Surface Area: 100 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 353.5±7.0 cm3

Click to predict properties on the Chemicalize site


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