ChemSpider 2D Image | [4-({[1-(4-Biphenylylmethyl)-1H-imidazol-5-yl]methyl}amino)-3,4-dihydro-2H-chromen-8-yl][1-(hydroxymethyl)-3,4-dihydro-2(1H)-isoquinolinyl]methanone | C37H36N4O3

[4-({[1-(4-Biphenylylmethyl)-1H-imidazol-5-yl]methyl}amino)-3,4-dihydro-2H-chromen-8-yl][1-(hydroxymethyl)-3,4-dihydro-2(1H)-isoquinolinyl]methanone

  • Molecular FormulaC37H36N4O3
  • Average mass584.707 Da
  • Monoisotopic mass584.278748 Da
  • ChemSpider ID8005570

More details:

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

[4-({[1-(4-Biphenylylmethyl)-1H-imidazol-5-yl]methyl}amino)-3,4-dihydro-2H-chromen-8-yl][1-(hydroxymethyl)-3,4-dihydro-2(1H)-isochinolinyl]methanon [German] [ACD/IUPAC Name]
[4-({[1-(4-Biphénylylméthyl)-1H-imidazol-5-yl]méthyl}amino)-3,4-dihydro-2H-chromén-8-yl][1-(hydroxyméthyl)-3,4-dihydro-2(1H)-isoquinoléinyl]méthanone [French] [ACD/IUPAC Name]
[4-({[1-(4-Biphenylylmethyl)-1H-imidazol-5-yl]methyl}amino)-3,4-dihydro-2H-chromen-8-yl][1-(hydroxymethyl)-3,4-dihydro-2(1H)-isoquinolinyl]methanone [ACD/IUPAC Name]
Methanone, [4-[[[1-([1,1'-biphenyl]-4-ylmethyl)-1H-imidazol-5-yl]methyl]amino]-3,4-dihydro-2H-1-benzopyran-8-yl][3,4-dihydro-1-(hydroxymethyl)-2(1H)-isoquinolinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 832.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.9±3.0 kJ/mol
Flash Point: 457.5±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 172.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 10.15
ACD/KOC (pH 5.5): 31.74
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1014.58
ACD/KOC (pH 7.4): 3173.53
Polar Surface Area: 80 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 459.5±7.0 cm3

Click to predict properties on the Chemicalize site


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