ChemSpider 2D Image | (2E)-3-(4-Methoxyphenyl)-N-({4-[4-(pentafluorophenyl)-1-piperazinyl]phenyl}carbamothioyl)acrylamide | C27H23F5N4O2S

(2E)-3-(4-Methoxyphenyl)-N-({4-[4-(pentafluorophenyl)-1-piperazinyl]phenyl}carbamothioyl)acrylamide

  • Molecular FormulaC27H23F5N4O2S
  • Average mass562.554 Da
  • Monoisotopic mass562.146179 Da
  • ChemSpider ID68754363

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Methoxyphenyl)-N-({4-[4-(pentafluorophenyl)-1-piperazinyl]phenyl}carbamothioyl)acrylamide [ACD/IUPAC Name]
(2E)-3-(4-Méthoxyphényl)-N-({4-[4-(pentafluorophényl)-1-pipérazinyl]phényl}carbamothioyl)acrylamide [French] [ACD/IUPAC Name]
(2E)-3-(4-Methoxyphenyl)-N-({4-[4-(pentafluorphenyl)-1-piperazinyl]phenyl}carbamothioyl)acrylamid [German] [ACD/IUPAC Name]
2-Propenamide, 3-(4-methoxyphenyl)-N-[[[4-[4-(2,3,4,5,6-pentafluorophenyl)-1-piperazinyl]phenyl]amino]thioxomethyl]-, (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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 141.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 550.41
ACD/KOC (pH 5.5): 1761.84
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3013.86
ACD/KOC (pH 7.4): 9647.18
Polar Surface Area: 89 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 394.3±3.0 cm3

Click to predict properties on the Chemicalize site


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