ChemSpider 2D Image | MMV-390048 | C18H14F3N3O2S

MMV-390048

  • Molecular FormulaC18H14F3N3O2S
  • Average mass393.383 Da
  • Monoisotopic mass393.075867 Da
  • ChemSpider ID28522683

More details:

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

[3,3'-Bipyridin]-2-amine, 5-[4-(methylsulfonyl)phenyl]-6'-(trifluoromethyl)- [ACD/Index Name]
1314883-11-8 [RN]
5-[4-(Methylsulfonyl)phenyl]-6'-(trifluormethyl)-3,3'-bipyridin-2-amin [German] [ACD/IUPAC Name]
5-[4-(Methylsulfonyl)phenyl]-6'-(trifluoromethyl)-3,3'-bipyridin-2-amine [ACD/IUPAC Name]
5-[4-(Méthylsulfonyl)phényl]-6'-(trifluorométhyl)-3,3'-bipyridin-2-amine [French] [ACD/IUPAC Name]
MMV-390048
3-(2-(Trifluoromethyl)pyridin-5-yl)-5-(4-(methylsulfonyl)-phenyl)pyridin-2-amine
5-(4-(Methylsulfonyl)phenyl)-6'-(trifluoromethyl)-[3,3'-bipyridin]-2-amine
CS(=O)(=O)C1=CC=C(C=C1)C1=CN=C(N)C(=C1)C1=CN=C(C=C1)C(F)(F)F
MFCD28502126
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0Z5T00JJ10 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 534.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.1±3.0 kJ/mol
    Flash Point: 277.0±30.1 °C
    Index of Refraction: 1.575
    Molar Refractivity: 93.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.06
    ACD/LogD (pH 5.5): 2.77
    ACD/BCF (pH 5.5): 74.79
    ACD/KOC (pH 5.5): 759.50
    ACD/LogD (pH 7.4): 2.78
    ACD/BCF (pH 7.4): 76.23
    ACD/KOC (pH 7.4): 774.10
    Polar Surface Area: 94 Å2
    Polarizability: 37.2±0.5 10-24cm3
    Surface Tension: 48.2±3.0 dyne/cm
    Molar Volume: 284.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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