ChemSpider 2D Image | N-{1-[4-(Methylsulfanyl)benzyl]-3-piperidinyl}-1H-indazol-5-amine | C20H24N4S

N-{1-[4-(Methylsulfanyl)benzyl]-3-piperidinyl}-1H-indazol-5-amine

  • Molecular FormulaC20H24N4S
  • Average mass352.496 Da
  • Monoisotopic mass352.172180 Da
  • ChemSpider ID25069689

More details:

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

1H-Indazol-5-amine, N-[1-[[4-(methylthio)phenyl]methyl]-3-piperidinyl]- [ACD/Index Name]
N-{1-[4-(Methylsulfanyl)benzyl]-3-piperidinyl}-1H-indazol-5-amin [German] [ACD/IUPAC Name]
N-{1-[4-(Methylsulfanyl)benzyl]-3-piperidinyl}-1H-indazol-5-amine [ACD/IUPAC Name]
N-{1-[4-(Méthylsulfanyl)benzyl]-3-pipéridinyl}-1H-indazol-5-amine [French] [ACD/IUPAC Name]
1035094-83-7 [RN]
INS-117548
MFCD18633216
N-(1-{[4-(methylsulfanyl)phenyl]methyl}piperidin-3-yl)-1H-indazol-5-amine
N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
Rho-Kinase-IN-1
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 567.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.1±3.0 kJ/mol
    Flash Point: 296.7±30.1 °C
    Index of Refraction: 1.687
    Molar Refractivity: 106.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.56
    ACD/LogD (pH 5.5): 0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.21
    ACD/LogD (pH 7.4): 2.23
    ACD/BCF (pH 7.4): 12.09
    ACD/KOC (pH 7.4): 72.68
    Polar Surface Area: 69 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 64.4±5.0 dyne/cm
    Molar Volume: 280.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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