ChemSpider 2D Image | (2E)-3-[2-Chloro-5-(trifluoromethyl)phenyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-(4-methoxybenzyl)acrylamide | C22H21ClF3NO4S

(2E)-3-[2-Chloro-5-(trifluoromethyl)phenyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-(4-methoxybenzyl)acrylamide

  • Molecular FormulaC22H21ClF3NO4S
  • Average mass487.920 Da
  • Monoisotopic mass487.083191 Da
  • ChemSpider ID127984621

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[2-Chlor-5-(trifluormethyl)phenyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-(4-methoxybenzyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-3-[2-Chloro-5-(trifluoromethyl)phenyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-(4-methoxybenzyl)acrylamide [ACD/IUPAC Name]
(2E)-3-[2-Chloro-5-(trifluorométhyl)phényl]-N-(1,1-dioxydotétrahydro-3-thiophényl)-N-(4-méthoxybenzyl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-(tetrahydro-1,1-dioxido-3-thienyl)-, (2E)- [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: 684.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 368.0±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 292.07
ACD/KOC (pH 5.5): 2024.87
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 292.07
ACD/KOC (pH 7.4): 2024.87
Polar Surface Area: 72 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 342.3±5.0 cm3

Click to predict properties on the Chemicalize site


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