ChemSpider 2D Image | [4-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl](4-{[2-(1-piperidinyl)(~2~H_4_)ethyl]oxy}phenyl)methanone | C28H23D4NO4S

[4-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl](4-{[2-(1-piperidinyl)(2H4)ethyl]oxy}phenyl)methanone

  • Molecular FormulaC28H23D4NO4S
  • Average mass477.608 Da
  • Monoisotopic mass477.191193 Da
  • ChemSpider ID107433493

  • Non-standard isotope - Non-standard isotope

More details:

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

[4-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl](4-{[2-(1-piperidinyl)(2H4)ethyl]oxy}phenyl)methanon [German] [ACD/IUPAC Name]
[4-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl](4-{[2-(1-piperidinyl)(2H4)ethyl]oxy}phenyl)methanone [ACD/IUPAC Name]
[4-Hydroxy-2-(4-hydroxyphényl)-1-benzothiophén-3-yl](4-{[2-(1-pipéridinyl)(2H4)éthyl]oxy}phényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[[2-(1-piperidinyl)ethyl-1,1,2,2-d4]oxy]phenyl]- [ACD/Index 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: 728.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 394.2±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 15.27
ACD/KOC (pH 5.5): 40.51
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 553.47
ACD/KOC (pH 7.4): 1468.30
Polar Surface Area: 98 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 367.3±3.0 cm3

Click to predict properties on the Chemicalize site


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