ChemSpider 2D Image | 3-(4-{[2,4-Bis(trifluoromethyl)benzyl]oxy}-3-methoxyphenyl)-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide | C23H13F9N4O3S

3-(4-{[2,4-Bis(trifluoromethyl)benzyl]oxy}-3-methoxyphenyl)-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide

  • Molecular FormulaC23H13F9N4O3S
  • Average mass596.425 Da
  • Monoisotopic mass596.056458 Da
  • ChemSpider ID57876220

More details:

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

2-Propenamide, 3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
3-(4-{[2,4-Bis(trifluormethyl)benzyl]oxy}-3-methoxyphenyl)-2-cyan-N-[5-(trifluormethyl)-1,3,4-thiadiazol-2-yl]acrylamid [German] [ACD/IUPAC Name]
3-(4-{[2,4-Bis(trifluoromethyl)benzyl]oxy}-3-methoxyphenyl)-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide [ACD/IUPAC Name]
3-(4-{[2,4-Bis(trifluorométhyl)benzyl]oxy}-3-méthoxyphényl)-2-cyano-N-[5-(trifluorométhyl)-1,3,4-thiadiazol-2-yl]acrylamide [French] [ACD/IUPAC Name]
3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-propenamide
725247-18-7 [RN]
3-(4-{[2,4-bis(trifluoromethyl)phenyl]methoxy}-3-methoxyphenyl)-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
MFCD08277031
XCT790 [Wiki]

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

XCT 790 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.550
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 2066.50
ACD/KOC (pH 5.5): 5123.44
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 138.88
ACD/KOC (pH 7.4): 344.32
Polar Surface Area: 125 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 386.2±3.0 cm3

Click to predict properties on the Chemicalize site


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