ChemSpider 2D Image | Montelukast Sulfoxide | C35H36ClNO4S

Montelukast Sulfoxide

  • Molecular FormulaC35H36ClNO4S
  • Average mass602.183 Da
  • Monoisotopic mass601.205383 Da
  • ChemSpider ID22547182

  • Double-bond stereo - Double-bond stereo

More details:

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

(1-{[(1-{3-[(E)-2-(7-Chlor-2-chinolinyl)vinyl]phenyl}-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl)sulfinyl]methyl}cyclopropyl)essigsäure [German] [ACD/IUPAC Name]
(1-{[(1-{3-[(E)-2-(7-Chloro-2-quinolinyl)vinyl]phenyl}-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl)sulfinyl]methyl}cyclopropyl)acetic acid [ACD/IUPAC Name]
2-(1-(((1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfinyl)methyl)cyclopropyl)acetic acid
909849-96-3 [RN]
Acide (1-{[(1-{3-[(E)-2-(7-chloro-2-quinoléinyl)vinyl]phényl}-3-[2-(2-hydroxy-2-propanyl)phényl]propyl)sulfinyl]méthyl}cyclopropyl)acétique [French] [ACD/IUPAC Name]
Cyclopropaneacetic acid, 1-[[[1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfinyl]methyl]- [ACD/Index Name]
Montelukast Sulfoxide
(E)-2-(1-(((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfinyl)methyl)cyclopropyl)acetic acid
{1-[(1-{3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propanesulfinyl)methyl]cyclopropyl}acetic acid
{1-[(1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propanesulfinyl)methyl]cyclopropyl}acetic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PND36Y6B5I [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: 818.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 124.7±3.0 kJ/mol
    Flash Point: 448.8±34.3 °C
    Index of Refraction: 1.691
    Molar Refractivity: 174.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 5.69
    ACD/LogD (pH 5.5): 4.98
    ACD/BCF (pH 5.5): 2270.67
    ACD/KOC (pH 5.5): 5159.80
    ACD/LogD (pH 7.4): 3.18
    ACD/BCF (pH 7.4): 36.30
    ACD/KOC (pH 7.4): 82.48
    Polar Surface Area: 107 Å2
    Polarizability: 69.2±0.5 10-24cm3
    Surface Tension: 66.2±3.0 dyne/cm
    Molar Volume: 456.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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