ChemSpider 2D Image | Ethyl 4,5-dimethyl-2-({[(4-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,2,5-oxadiazol-3-yl)oxy]acetyl}amino)-3-thiophenecarboxylate | C21H19F3N4O6S

Ethyl 4,5-dimethyl-2-({[(4-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,2,5-oxadiazol-3-yl)oxy]acetyl}amino)-3-thiophenecarboxylate

  • Molecular FormulaC21H19F3N4O6S
  • Average mass512.459 Da
  • Monoisotopic mass512.097717 Da
  • ChemSpider ID125142630

More details:

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

3-Thiophenecarboxylic acid, 4,5-dimethyl-2-[[2-[[4-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-1,2,5-oxadiazol-3-yl]oxy]acetyl]amino]-, ethyl ester [ACD/Index Name]
4,5-Diméthyl-2-({2-[(4-{[3-(trifluorométhyl)phényl]carbamoyl}-1,2,5-oxadiazol-3-yl)oxy]acétyl}amino)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4,5-dimethyl-2-({[(4-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,2,5-oxadiazol-3-yl)oxy]acetyl}amino)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-4,5-dimethyl-2-({[(4-{[3-(trifluormethyl)phenyl]carbamoyl}-1,2,5-oxadiazol-3-yl)oxy]acetyl}amino)-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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: 1.599
Molar Refractivity: 119.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1260.83
ACD/KOC (pH 5.5): 5766.62
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1165.65
ACD/KOC (pH 7.4): 5331.26
Polar Surface Area: 161 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 349.0±3.0 cm3

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