ChemSpider 2D Image | 7-(4-Bromophenyl)-3-[(2,5-dimethylbenzyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one | C20H17BrN4OS

7-(4-Bromophenyl)-3-[(2,5-dimethylbenzyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one

  • Molecular FormulaC20H17BrN4OS
  • Average mass441.344 Da
  • Monoisotopic mass440.030640 Da
  • ChemSpider ID28405463

More details:

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

1,2,4-Triazolo[4,3-a]pyrazin-8(7H)-one, 7-(4-bromophenyl)-3-[[(2,5-dimethylphenyl)methyl]thio]- [ACD/Index Name]
7-(4-Bromophenyl)-3-[(2,5-dimethylbenzyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one [ACD/IUPAC Name]
7-(4-Bromophényl)-3-[(2,5-diméthylbenzyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one [French] [ACD/IUPAC Name]
7-(4-Bromphenyl)-3-[(2,5-dimethylbenzyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-on [German] [ACD/IUPAC Name]
1242886-11-8 [RN]
7-(4-bromophenyl)-3-((2,5-dimethylbenzyl)thio)-[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(4-bromophenyl)-3-[(2,5-dimethylbenzyl)thio][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(4-bromophenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
7-(4-bromophenyl)-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 653.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.9±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1247.67
ACD/KOC (pH 5.5): 5725.15
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1247.67
ACD/KOC (pH 7.4): 5725.15
Polar Surface Area: 76 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 294.0±7.0 cm3

Click to predict properties on the Chemicalize site


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