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Search term: LRJDBZGHSHPPKN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[6-(4-Bromophenyl)-12-methyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile | C26H18BrN5O

4-[6-(4-Bromophenyl)-12-methyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile

  • Molecular FormulaC26H18BrN5O
  • Average mass496.358 Da
  • Monoisotopic mass495.069458 Da
  • ChemSpider ID24632734

More details:

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

4-[6-(4-Bromophenyl)-12-methyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile [ACD/IUPAC Name]
4-[6-(4-Bromophényl)-12-méthyl-7,12-dihydro-6H-chroméno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile [French] [ACD/IUPAC Name]
4-[6-(4-Bromphenyl)-12-methyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[6-(4-bromophenyl)-7,12-dihydro-12-methyl-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-7-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 716.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 386.9±35.7 °C
Index of Refraction: 1.743
Molar Refractivity: 131.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 12031.03
ACD/KOC (pH 5.5): 28979.35
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12048.42
ACD/KOC (pH 7.4): 29021.25
Polar Surface Area: 67 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 325.6±7.0 cm3

Click to predict properties on the Chemicalize site


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