ChemSpider 2D Image | (6R,7S)-6,7-Bis(4-bromophenyl)-2,12-dimethyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine | C26H20Br2N4O

(6R,7S)-6,7-Bis(4-bromophenyl)-2,12-dimethyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine

  • Molecular FormulaC26H20Br2N4O
  • Average mass564.271 Da
  • Monoisotopic mass562.000366 Da
  • ChemSpider ID26393692

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,7S)-6,7-Bis(4-bromophenyl)-2,12-dimethyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine [ACD/IUPAC Name]
(6R,7S)-6,7-Bis(4-bromophényl)-2,12-diméthyl-7,12-dihydro-6H-chroméno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine [French] [ACD/IUPAC Name]
(6R,7S)-6,7-Bis(4-bromphenyl)-2,12-dimethyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin [German] [ACD/IUPAC Name]
6H-[1]Benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 6,7-bis(4-bromophenyl)-7,12-dihydro-2,12-dimethyl-, (6R,7S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 699.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.8±34.3 °C
Index of Refraction: 1.739
Molar Refractivity: 137.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.54
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 181391.09
ACD/KOC (pH 5.5): 202060.73
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 181698.47
ACD/KOC (pH 7.4): 202403.11
Polar Surface Area: 43 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 340.5±7.0 cm3

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