ChemSpider 2D Image | Methyl 3-{[3-({[6-(trifluoromethyl)-3-pyridinyl]sulfonyl}amino)-2-pyridinyl]sulfanyl}propanoate | C15H14F3N3O4S2

Methyl 3-{[3-({[6-(trifluoromethyl)-3-pyridinyl]sulfonyl}amino)-2-pyridinyl]sulfanyl}propanoate

  • Molecular FormulaC15H14F3N3O4S2
  • Average mass421.415 Da
  • Monoisotopic mass421.037781 Da
  • ChemSpider ID30431439

More details:






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

3-{[3-({[6-(Trifluorométhyl)-3-pyridinyl]sulfonyl}amino)-2-pyridinyl]sulfanyl}propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[3-({[6-(trifluoromethyl)-3-pyridinyl]sulfonyl}amino)-2-pyridinyl]sulfanyl}propanoate [ACD/IUPAC Name]
Methyl-3-{[3-({[6-(trifluormethyl)-3-pyridinyl]sulfonyl}amino)-2-pyridinyl]sulfanyl}propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[[3-[[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]amino]-2-pyridinyl]thio]-, methyl ester [ACD/Index Name]
https://mcule.com/MCULE-1433232461

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 524.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.2±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 92.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 11.22
ACD/KOC (pH 5.5): 168.58
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.78
Polar Surface Area: 132 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 276.4±5.0 cm3

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