ChemSpider 2D Image | 1-[4-(2-Azanylpyrimidin-4-Yl)oxyphenyl]-3-[4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl]urea | C24H26F3N7O2

1-[4-(2-Azanylpyrimidin-4-Yl)oxyphenyl]-3-[4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl]urea

  • Molecular FormulaC24H26F3N7O2
  • Average mass501.504 Da
  • Monoisotopic mass501.210022 Da
  • ChemSpider ID9435587

More details:

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

1-[4-(2-Azanylpyrimidin-4-Yl)oxyphenyl]-3-[4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl]urea
1-{4-[(2-Amino-4-pyrimidinyl)oxy]phenyl}-3-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}harnstoff [German] [ACD/IUPAC Name]
1-{4-[(2-Amino-4-pyrimidinyl)oxy]phenyl}-3-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}urea [ACD/IUPAC Name]
1-{4-[(2-Amino-4-pyrimidinyl)oxy]phényl}-3-{4-[(4-méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}urée [French] [ACD/IUPAC Name]
1-{4-[(2-AMINOPYRIMIDIN-4-YL)OXY]PHENYL}-3-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}UREA
853299-07-7 [RN]
Urea, N-[4-[(2-amino-4-pyrimidinyl)oxy]phenyl]-N'-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
1-[4-(2-amino-pyrimidin-4-yloxy)-phenyl]-3-[4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-urea
AUZ 454
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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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.642
    Molar Refractivity: 130.1±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.41
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.28
    ACD/LogD (pH 7.4): 2.59
    ACD/BCF (pH 7.4): 43.80
    ACD/KOC (pH 7.4): 399.39
    Polar Surface Area: 109 Å2
    Polarizability: 51.6±0.5 10-24cm3
    Surface Tension: 63.0±3.0 dyne/cm
    Molar Volume: 360.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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