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Search term: ZYWFLXMDPHUHGO (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-({(3S,4S)-4-[(3-Hydroxybenzyl)amino]-3-pyrrolidinyl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide | C26H27F3N4O4S

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

  • Molecular FormulaC26H27F3N4O4S
  • Average mass548.577 Da
  • Monoisotopic mass548.170532 Da
  • ChemSpider ID35034113
  • 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-Hydroxybenzyl)amino]-3-pyrrolidinyl}[4-(trifluormethyl)benzyl]sulfamoyl)benzamid [German] [ACD/IUPAC Name]
4-({(3S,4S)-4-[(3-Hydroxybenzyl)amino]-3-pyrrolidinyl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide [ACD/IUPAC Name]
4-({(3S,4S)-4-[(3-Hydroxybenzyl)amino]-3-pyrrolidinyl}[4-(trifluorométhyl)benzyl]sulfamoyl)benzamide [French] [ACD/IUPAC Name]
4-({(3s,4s)-4-[(3-Hydroxybenzyl)amino]pyrrolidin-3-Yl}[4-(Trifluoromethyl)benzyl]sulfamoyl)benzamide
Benzamide, 4-[[[(3S,4S)-4-[[(3-hydroxyphenyl)methyl]amino]-3-pyrrolidinyl][[4-(trifluoromethyl)phenyl]methyl]amino]sulfonyl]- [ACD/Index Name]
N4I

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

Density: 1.5±0.1 g/cm3
Boiling Point: 726.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 392.8±35.7 °C
Index of Refraction: 1.652
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.19
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 3.42
ACD/KOC (pH 7.4): 29.50
Polar Surface Area: 133 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 374.2±5.0 cm3

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