ChemSpider 2D Image | K-Ras(G12C) inhibitor 6 | C17H22Cl2N2O3S

K-Ras(G12C) inhibitor 6

  • Molecular FormulaC17H22Cl2N2O3S
  • Average mass405.339 Da
  • Monoisotopic mass404.072815 Da
  • ChemSpider ID31042597

More details:

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

2060530-16-5 [RN]
Butanamide, N-[1-[2-(2,4-dichlorophenoxy)acetyl]-4-piperidinyl]-4-mercapto- [ACD/Index Name]
K-Ras(G12C) inhibitor 6
N-{1-[(2,4-Dichlorophenoxy)acetyl]-4-piperidinyl}-4-sulfanylbutanamide [ACD/IUPAC Name]
N-{1-[(2,4-Dichlorophenoxy)acetyl]piperidin-4-Yl}-4-Sulfanylbutanamide
N-{1-[(2,4-Dichlorphenoxy)acetyl]-4-piperidinyl}-4-sulfanylbutanamid [German] [ACD/IUPAC Name]
N-{1-[2-(2,4-Dichlorophénoxy)acétyl]-4-pipéridinyl}-4-sulfanylbutanamide [French] [ACD/IUPAC Name]
N-{1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide
20G
MDK30165
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 643.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.9±3.0 kJ/mol
    Flash Point: 342.9±31.5 °C
    Index of Refraction: 1.594
    Molar Refractivity: 102.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.49
    ACD/LogD (pH 5.5): 3.10
    ACD/BCF (pH 5.5): 132.60
    ACD/KOC (pH 5.5): 1150.60
    ACD/LogD (pH 7.4): 3.10
    ACD/BCF (pH 7.4): 132.37
    ACD/KOC (pH 7.4): 1148.62
    Polar Surface Area: 97 Å2
    Polarizability: 40.7±0.5 10-24cm3
    Surface Tension: 55.5±5.0 dyne/cm
    Molar Volume: 302.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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