ChemSpider 2D Image | BI-671800 | C25H26F3N5O3

BI-671800

  • Molecular FormulaC25H26F3N5O3
  • Average mass501.501 Da
  • Monoisotopic mass501.198761 Da
  • ChemSpider ID24619510

More details:

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

[4,6-bis(dimethylamino)-2-({4-[4-(trifluoromethyl)benzamido]phenyl}methyl)pyrimidin-5-yl]acetic acid
[4,6-Bis(dimethylamino)-2-(4-{[4-(trifluormethyl)benzoyl]amino}benzyl)-5-pyrimidinyl]essigsäure [German] [ACD/IUPAC Name]
[4,6-Bis(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)-5-pyrimidinyl]acetic acid [ACD/IUPAC Name]
1093108-50-9 [RN]
2-[4,6-bis(dimethylamino)-2-({4-[4-(trifluoromethyl)benzamido]phenyl}methyl)pyrimidin-5-yl]acetic acid
5-Pyrimidineacetic acid, 4,6-bis(dimethylamino)-2-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]- [ACD/Index Name]
721F767LHB
Acide [4,6-bis(diméthylamino)-2-(4-{[4-(trifluorométhyl)benzoyl]amino}benzyl)-5-pyrimidinyl]acétique [French] [ACD/IUPAC Name]
BI-671800
2-[4,6-bis(dimethylamino)-2-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]pyrimidin-5-yl]acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 611.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.4±3.0 kJ/mol
    Flash Point: 323.6±31.5 °C
    Index of Refraction: 1.624
    Molar Refractivity: 131.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.42
    ACD/LogD (pH 5.5): 2.44
    ACD/BCF (pH 5.5): 12.08
    ACD/KOC (pH 5.5): 47.06
    ACD/LogD (pH 7.4): 1.46
    ACD/BCF (pH 7.4): 1.26
    ACD/KOC (pH 7.4): 4.92
    Polar Surface Area: 99 Å2
    Polarizability: 52.0±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 371.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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