ChemSpider 2D Image | 3-DES(4-(2-PIPERIDINYL)ETHOXY)BENZOYL-7-(4-(2-PIPERIDINYL)ETHOXY)BENZOYL RALOXIFENE | C28H27NO4S

3-DES(4-(2-PIPERIDINYL)ETHOXY)BENZOYL-7-(4-(2-PIPERIDINYL)ETHOXY)BENZOYL RALOXIFENE

  • Molecular FormulaC28H27NO4S
  • Average mass473.583 Da
  • Monoisotopic mass473.166077 Da
  • ChemSpider ID32697956

More details:

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

[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-7-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanon [German] [ACD/IUPAC Name]
[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-7-yl]{4-[2-(1-piperidinyl)ethoxy]phenyl}methanone [ACD/IUPAC Name]
[6-Hydroxy-2-(4-hydroxyphényl)-1-benzothiophén-7-yl]{4-[2-(1-pipéridinyl)éthoxy]phényl}méthanone [French] [ACD/IUPAC Name]
1391054-73-1 [RN]
3-DES(4-(2-PIPERIDINYL)ETHOXY)BENZOYL-7-(4-(2-PIPERIDINYL)ETHOXY)BENZOYL RALOXIFENE
Methanone, [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-7-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]- [ACD/Index Name]
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-7-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-7-yl]
3-des[4-(2-piperidinyl)ethoxy]benzoyl-7-[4-(2-piperidinyl)ethoxy]benzoyl raloxifene

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

631N7NJH5W [DBID]
UNII:631N7NJH5W [DBID]
UNII-631N7NJH5W [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 681.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.6±3.0 kJ/mol
    Flash Point: 365.8±31.5 °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: 7.82
    ACD/LogD (pH 5.5): 3.20
    ACD/BCF (pH 5.5): 34.76
    ACD/KOC (pH 5.5): 73.27
    ACD/LogD (pH 7.4): 4.65
    ACD/BCF (pH 7.4): 987.81
    ACD/KOC (pH 7.4): 2082.11
    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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