ChemSpider 2D Image | 2-({[(4-Fluorophenyl)sulfonyl](pentyl)amino}methyl)-3-(pentylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid | C27H36F4N2O4S

2-({[(4-Fluorophenyl)sulfonyl](pentyl)amino}methyl)-3-(pentylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid

  • Molecular FormulaC27H36F4N2O4S
  • Average mass560.644 Da
  • Monoisotopic mass560.233215 Da
  • ChemSpider ID2905294

More details:

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

2-({[(4-Fluorophenyl)sulfonyl](pentyl)amino}methyl)-3-(pentylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid [ACD/IUPAC Name]
2-({[(4-Fluorphenyl)sulfonyl](pentyl)amino}methyl)-3-(pentylamino)-3-[4-(trifluormethyl)phenyl]propansäure [German] [ACD/IUPAC Name]
Acide 2-({[(4-fluorophényl)sulfonyl](pentyl)amino}méthyl)-3-(pentylamino)-3-[4-(trifluorométhyl)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[[(4-fluorophenyl)sulfonyl]pentylamino]methyl]-β-(pentylamino)-4-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.6±34.3 °C
Index of Refraction: 1.523
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.86
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 1173.65
ACD/KOC (pH 5.5): 1067.78
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 1134.06
ACD/KOC (pH 7.4): 1031.77
Polar Surface Area: 95 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 456.0±3.0 cm3

Click to predict properties on the Chemicalize site


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