ChemSpider 2D Image | 4-{[4-(Trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}-3-pyrrolidinyl]sulfamoyl}benzamide | C27H26F6N4O3S

4-{[4-(Trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}-3-pyrrolidinyl]sulfamoyl}benzamide

  • Molecular FormulaC27H26F6N4O3S
  • Average mass600.576 Da
  • Monoisotopic mass600.162964 Da
  • ChemSpider ID35034133

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[4-(Trifluormethyl)benzyl][(3S,4S)-4-{[4-(trifluormethyl)benzyl]amino}-3-pyrrolidinyl]sulfamoyl}benzamid [German] [ACD/IUPAC Name]
4-{[4-(Trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}-3-pyrrolidinyl]sulfamoyl}benzamide [ACD/IUPAC Name]
4-{[4-(Trifluorométhyl)benzyl][(3S,4S)-4-{[4-(trifluorométhyl)benzyl]amino}-3-pyrrolidinyl]sulfamoyl}benzamide [French] [ACD/IUPAC Name]
4-{[4-(Trifluoromethyl)benzyl][(3s,4s)-4-{[4-(Trifluoromethyl)benzyl]amino}pyrrolidin-3-Yl]sulfamoyl}benzamide
Benzamide, 4-[[[[4-(trifluoromethyl)phenyl]methyl][(3S,4S)-4-[[[4-(trifluoromethyl)phenyl]methyl]amino]-3-pyrrolidinyl]amino]sulfonyl]- [ACD/Index Name]
NK7

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

Density: 1.5±0.1 g/cm3
Boiling Point: 682.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.2±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.48
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 39.53
ACD/KOC (pH 7.4): 185.07
Polar Surface Area: 113 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 408.0±5.0 cm3

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