ChemSpider 2D Image | 4-{(3-Phenylpropyl)[(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}-3-pyrrolidinyl]sulfamoyl}benzamide | C28H31F3N4O3S

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

  • Molecular FormulaC28H31F3N4O3S
  • Average mass560.631 Da
  • Monoisotopic mass560.206909 Da
  • ChemSpider ID35033923
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 696.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.2±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.02
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 33.10
ACD/KOC (pH 7.4): 156.31
Polar Surface Area: 113 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 409.5±5.0 cm3

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