ChemSpider 2D Image | 4-({[1-(4-Biphenylylmethyl)-1H-imidazol-5-yl]methyl}amino)-N-[2-(4-pyridinyl)ethyl]-8-chromanecarboxamide | C34H33N5O2

4-({[1-(4-Biphenylylmethyl)-1H-imidazol-5-yl]methyl}amino)-N-[2-(4-pyridinyl)ethyl]-8-chromanecarboxamide

  • Molecular FormulaC34H33N5O2
  • Average mass543.658 Da
  • Monoisotopic mass543.263428 Da
  • ChemSpider ID7983173

More details:

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

2H-1-Benzopyran-8-carboxamide, 4-[[[1-([1,1'-biphenyl]-4-ylmethyl)-1H-imidazol-5-yl]methyl]amino]-3,4-dihydro-N-[2-(4-pyridinyl)ethyl]- [ACD/Index Name]
4-({[1-(4-Biphenylylmethyl)-1H-imidazol-5-yl]methyl}amino)-N-[2-(4-pyridinyl)ethyl]-8-chromancarboxamid [German] [ACD/IUPAC Name]
4-({[1-(4-Biphenylylmethyl)-1H-imidazol-5-yl]methyl}amino)-N-[2-(4-pyridinyl)ethyl]-8-chromanecarboxamide [ACD/IUPAC Name]
4-({[1-(4-Biphénylylméthyl)-1H-imidazol-5-yl]méthyl}amino)-N-[2-(4-pyridinyl)éthyl]-8-chromanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 776.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.6±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 162.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 5.98
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 346.87
ACD/KOC (pH 7.4): 1555.83
Polar Surface Area: 81 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 441.3±7.0 cm3

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