ChemSpider 2D Image | 2-[4-({2-[(Difluoromethyl)sulfanyl]-3-pyridinyl}carbonyl)-1-piperazinyl]-N-(4-methylphenyl)acetamide | C20H22F2N4O2S

2-[4-({2-[(Difluoromethyl)sulfanyl]-3-pyridinyl}carbonyl)-1-piperazinyl]-N-(4-methylphenyl)acetamide

  • Molecular FormulaC20H22F2N4O2S
  • Average mass420.476 Da
  • Monoisotopic mass420.143158 Da
  • ChemSpider ID21731677

More details:

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

1-Piperazineacetamide, 4-[[2-[(difluoromethyl)thio]-3-pyridinyl]carbonyl]-N-(4-methylphenyl)- [ACD/Index Name]
2-[4-({2-[(Difluormethyl)sulfanyl]-3-pyridinyl}carbonyl)-1-piperazinyl]-N-(4-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-[4-({2-[(Difluoromethyl)sulfanyl]-3-pyridinyl}carbonyl)-1-piperazinyl]-N-(4-methylphenyl)acetamide [ACD/IUPAC Name]
2-[4-({2-[(Difluorométhyl)sulfanyl]-3-pyridinyl}carbonyl)-1-pipérazinyl]-N-(4-méthylphényl)acétamide [French] [ACD/IUPAC 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: 598.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 315.9±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.42
ACD/KOC (pH 5.5): 359.88
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.12
ACD/KOC (pH 7.4): 369.42
Polar Surface Area: 91 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 309.0±5.0 cm3

Click to predict properties on the Chemicalize site


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