ChemSpider 2D Image | 2-Amino-2-(2-{2'-fluoro-4'-[(4-methylphenyl)sulfanyl]-4-biphenylyl}ethyl)-1,3-propanediol | C24H26FNO2S

2-Amino-2-(2-{2'-fluoro-4'-[(4-methylphenyl)sulfanyl]-4-biphenylyl}ethyl)-1,3-propanediol

  • Molecular FormulaC24H26FNO2S
  • Average mass411.532 Da
  • Monoisotopic mass411.166840 Da
  • ChemSpider ID24668329

More details:

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

1,3-Propanediol, 2-amino-2-[2-[2'-fluoro-4'-[(4-methylphenyl)thio][1,1'-biphenyl]-4-yl]ethyl]- [ACD/Index Name]
2-Amino-2-(2-{2'-fluor-4'-[(4-methylphenyl)sulfanyl]-4-biphenylyl}ethyl)-1,3-propandiol [German] [ACD/IUPAC Name]
2-Amino-2-(2-{2'-fluoro-4'-[(4-methylphenyl)sulfanyl]-4-biphenylyl}ethyl)-1,3-propanediol [ACD/IUPAC Name]
2-Amino-2-(2-{2'-fluoro-4'-[(4-méthylphényl)sulfanyl]-4-biphénylyl}éthyl)-1,3-propanediol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 337.1±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 5.44
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 5.95
ACD/KOC (pH 7.4): 25.95
Polar Surface Area: 92 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 323.5±5.0 cm3

Click to predict properties on the Chemicalize site


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