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Search term: QNLKWXVEEJVQIM-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | N,N'-{[2-(4-Bromophenyl)-4,6-pyrimidinediyl]di-4,1-phenylene}diacetamide | C26H21BrN4O2

N,N'-{[2-(4-Bromophenyl)-4,6-pyrimidinediyl]di-4,1-phenylene}diacetamide

  • Molecular FormulaC26H21BrN4O2
  • Average mass501.375 Da
  • Monoisotopic mass500.084778 Da
  • ChemSpider ID3181497

More details:






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

Acetamide, N,N'-[[2-(4-bromophenyl)-4,6-pyrimidinediyl]di-4,1-phenylene]bis- [ACD/Index Name]
N,N'-{[2-(4-Bromophenyl)-4,6-pyrimidinediyl]di-4,1-phenylene}diacetamide [ACD/IUPAC Name]
N,N'-{[2-(4-Bromophényl)-4,6-pyrimidinediyl]di-4,1-phénylène}diacétamide [French] [ACD/IUPAC Name]
N,N'-{[2-(4-Bromphenyl)-4,6-pyrimidindiyl]di-4,1-phenylen}diacetamid [German] [ACD/IUPAC Name]

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

CBDivE_016044 [DBID]
ZINC00754921 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 677.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.4±31.5 °C
Index of Refraction: 1.671
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3163.32
ACD/KOC (pH 5.5): 11142.71
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3163.46
ACD/KOC (pH 7.4): 11143.22
Polar Surface Area: 84 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 354.1±3.0 cm3

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