ChemSpider 2D Image | N-{(1s)-2-{4-[(5r)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}-1-[5-(Trifluoromethyl)-1h-Benzimidazol-2-Yl]ethyl}-2,2,2-Trifluoroacetamide | C21H16F6N4O4S

N-{(1s)-2-{4-[(5r)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}-1-[5-(Trifluoromethyl)-1h-Benzimidazol-2-Yl]ethyl}-2,2,2-Trifluoroacetamide

  • Molecular FormulaC21H16F6N4O4S
  • Average mass534.432 Da
  • Monoisotopic mass534.079651 Da
  • ChemSpider ID7828122

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,2,2-Trifluoro-N-{(1S)-2-{4-[(5S)-3-oxo-1,1-dioxydo-1,2-thiazolidin-5-yl]phényl}-1-[5-(trifluorométhyl)-1H-benzimidazol-2-yl]éthyl}acétamide [French] [ACD/IUPAC Name]
Acetamide, N-[(1S)-2-[4-[(5S)-1,1-dioxido-3-oxo-5-isothiazolidinyl]phenyl]-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]-2,2,2-trifluoro- [ACD/Index Name]
N-{(1s)-2-{4-[(5r)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}-1-[5-(Trifluoromethyl)-1h-Benzimidazol-2-Yl]ethyl}-2,2,2-Trifluoroacetamide
N-{(1S)-2-{4-[(5S)-1,1-Dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}-1-[5-(trifluormethyl)-1H-benzimidazol-2-yl]ethyl}-2,2,2-trifluoracetamid [German] [ACD/IUPAC Name]
N-{(1S)-2-{4-[(5S)-1,1-Dioxido-3-oxo-1,2-thiazolidin-5-yl]phenyl}-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl}-2,2,2-trifluoroacetamide [ACD/IUPAC Name]
IZE

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 3.26
ACD/KOC (pH 5.5): 38.29
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.77
Polar Surface Area: 129 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 340.8±3.0 cm3

Click to predict properties on the Chemicalize site


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