ChemSpider 2D Image | YIL781 | C24H28FN3O2

YIL781

  • Molecular FormulaC24H28FN3O2
  • Average mass409.496 Da
  • Monoisotopic mass409.216553 Da
  • ChemSpider ID23289461

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4(3H)-Quinazolinone, 6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-(1-methylethyl)-3-piperidinyl]methyl]- [ACD/Index Name]
6-(4-fluorophenoxy)-2-methyl-3-{[(3S)-1-(propan-2-yl)piperidin-3-yl]methyl}quinazolin-4(3H)-one
6-(4-Fluorophenoxy)-3-{[(3S)-1-isopropyl-3-piperidinyl]methyl}-2-methyl-4(3H)-quinazolinone [ACD/IUPAC Name]
6-(4-Fluorophénoxy)-3-{[(3S)-1-isopropyl-3-pipéridinyl]méthyl}-2-méthyl-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
6-(4-Fluorphenoxy)-3-{[(3S)-1-isopropyl-3-piperidinyl]methyl}-2-methyl-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
YIL781
(S)-6-(4-Fluorophenoxy)-3-((1-isopropylpiperidin-3-yl)methyl)-2-methylquinazolin-4(3H)-one
6-(4-Fluorophenoxy)-2-methyl-3-[[(3S)-1-(1-methylethyl)-3-piperidinyl]methyl]-4(3H)-quinazolinone
6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one
6-(4-fluorophenoxy)-3-{[(3S)-1-isopropylpiperidin-3-yl]methyl}-2-methylquinazolin-4(3H)-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 532.3±58.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.8±3.0 kJ/mol
    Flash Point: 275.7±32.3 °C
    Index of Refraction: 1.606
    Molar Refractivity: 115.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.07
    ACD/LogD (pH 5.5): 1.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.92
    ACD/LogD (pH 7.4): 1.66
    ACD/BCF (pH 7.4): 2.57
    ACD/KOC (pH 7.4): 12.63
    Polar Surface Area: 45 Å2
    Polarizability: 45.8±0.5 10-24cm3
    Surface Tension: 41.9±7.0 dyne/cm
    Molar Volume: 335.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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