ChemSpider 2D Image | KT182 | C27H26N4O2

KT182

  • Molecular FormulaC27H26N4O2
  • Average mass438.521 Da
  • Monoisotopic mass438.205566 Da
  • ChemSpider ID34253275

More details:

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

[4-[3'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-1H-1,2,3-triazol-1-yl](2-phenyl-1-piperidinyl)-methanone
{4'-[1-(2-phenylpiperidine-1-carbonyl)-1H-1,2,3-triazol-4-yl]-[1,1'-biphenyl]-3-yl}methanol
{4-[3'-(Hydroxymethyl)-4-biphenylyl]-1H-1,2,3-triazol-1-yl}(2-phenyl-1-piperidinyl)methanon [German] [ACD/IUPAC Name]
{4-[3'-(Hydroxymethyl)-4-biphenylyl]-1H-1,2,3-triazol-1-yl}(2-phenyl-1-piperidinyl)methanone [ACD/IUPAC Name]
{4-[3'-(Hydroxyméthyl)-4-biphénylyl]-1H-1,2,3-triazol-1-yl}(2-phényl-1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
1402612-62-7 [RN]
KT182
Methanone, [4-[3'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-1H-1,2,3-triazol-1-yl](2-phenyl-1-piperidinyl)- [ACD/Index Name]
MFCD28118914
(4-(3'-(Hydroxymethyl)-[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(2-phenylpiperidin-1-yl)methanone

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 684.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.4±3.0 kJ/mol
    Flash Point: 367.6±34.3 °C
    Index of Refraction: 1.665
    Molar Refractivity: 130.0±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.58
    ACD/LogD (pH 5.5): 3.34
    ACD/BCF (pH 5.5): 203.01
    ACD/KOC (pH 5.5): 1560.74
    ACD/LogD (pH 7.4): 3.34
    ACD/BCF (pH 7.4): 203.01
    ACD/KOC (pH 7.4): 1560.74
    Polar Surface Area: 71 Å2
    Polarizability: 51.5±0.5 10-24cm3
    Surface Tension: 52.6±7.0 dyne/cm
    Molar Volume: 349.8±7.0 cm3

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