ChemSpider 2D Image | N-[2-(3-{[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide | C28H24F3N3O4S

N-[2-(3-{[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide

  • Molecular FormulaC28H24F3N3O4S
  • Average mass555.568 Da
  • Monoisotopic mass555.143982 Da
  • ChemSpider ID3606370

More details:






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

Benzamide, N-[2-[3-[[2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]thio]-1H-indol-1-yl]ethyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-[2-(3-{[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[2-(3-{[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[2-(3-{[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoéthyl]sulfanyl}-1H-indol-1-yl)éthyl]-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
DF3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 761.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.3±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 141.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1923.43
ACD/KOC (pH 5.5): 7804.32
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1923.48
ACD/KOC (pH 7.4): 7804.54
Polar Surface Area: 107 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 396.4±7.0 cm3

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