ChemSpider 2D Image | 4-({(3S,4S)-4-[(3,5-Dihydroxybenzyl)amino]-3-pyrrolidinyl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide | C26H27F3N4O5S

4-({(3S,4S)-4-[(3,5-Dihydroxybenzyl)amino]-3-pyrrolidinyl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide

  • Molecular FormulaC26H27F3N4O5S
  • Average mass564.577 Da
  • Monoisotopic mass564.165405 Da
  • ChemSpider ID35034135

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-({(3S,4S)-4-[(3,5-Dihydroxybenzyl)amino]-3-pyrrolidinyl}[4-(trifluormethyl)benzyl]sulfamoyl)benzamid [German] [ACD/IUPAC Name]
4-({(3S,4S)-4-[(3,5-Dihydroxybenzyl)amino]-3-pyrrolidinyl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide [ACD/IUPAC Name]
4-({(3S,4S)-4-[(3,5-Dihydroxybenzyl)amino]-3-pyrrolidinyl}[4-(trifluorométhyl)benzyl]sulfamoyl)benzamide [French] [ACD/IUPAC Name]
4-({(3s,4s)-4-[(3,5-Dihydroxybenzyl)amino]pyrrolidin-3-Yl}[4-(Trifluoromethyl)benzyl]sulfamoyl)benzamide
Benzamide, 4-[[[(3S,4S)-4-[[(3,5-dihydroxyphenyl)methyl]amino]-3-pyrrolidinyl][[4-(trifluoromethyl)phenyl]methyl]amino]sulfonyl]- [ACD/Index Name]
NK9

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

Density: 1.5±0.1 g/cm3
Boiling Point: 759.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 412.9±35.7 °C
Index of Refraction: 1.668
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.47
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 14.66
Polar Surface Area: 153 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 370.9±5.0 cm3

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