Found 18 results

Search term: MF = 'C_{26}H_{26}F_{3}NO_{3}S'
ChemSpider 2D Image | Ethyl 3-[2-(benzylsulfanyl)-5-methylphenyl]-3-{[4-(trifluoromethoxy)phenyl]amino}propanoate | C26H26F3NO3S

Ethyl 3-[2-(benzylsulfanyl)-5-methylphenyl]-3-{[4-(trifluoromethoxy)phenyl]amino}propanoate

  • Molecular FormulaC26H26F3NO3S
  • Average mass489.550 Da
  • Monoisotopic mass489.158539 Da
  • ChemSpider ID78325306

More details:

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

3-[2-(Benzylsulfanyl)-5-méthylphényl]-3-{[4-(trifluorométhoxy)phényl]amino}propanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 5-methyl-2-[(phenylmethyl)thio]-β-[[4-(trifluoromethoxy)phenyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 3-[2-(benzylsulfanyl)-5-methylphenyl]-3-{[4-(trifluoromethoxy)phenyl]amino}propanoate [ACD/IUPAC Name]
Ethyl-3-[2-(benzylsulfanyl)-5-methylphenyl]-3-{[4-(trifluormethoxy)phenyl]amino}propanoat [German] [ACD/IUPAC 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: 562.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.8±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 31088.65
ACD/KOC (pH 5.5): 57189.04
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 31107.60
ACD/KOC (pH 7.4): 57223.89
Polar Surface Area: 73 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 384.8±5.0 cm3

Click to predict properties on the Chemicalize site


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