ChemSpider 2D Image | 3-(3-Phenyl-1H-pyrazol-5-yl)-6-(4-pyridinyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine | C18H13N7S

3-(3-Phenyl-1H-pyrazol-5-yl)-6-(4-pyridinyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

  • Molecular FormulaC18H13N7S
  • Average mass359.408 Da
  • Monoisotopic mass359.095306 Da
  • ChemSpider ID58874138

More details:

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

3-(3-Phenyl-1H-pyrazol-5-yl)-6-(4-pyridinyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin [German] [ACD/IUPAC Name]
3-(3-Phenyl-1H-pyrazol-5-yl)-6-(4-pyridinyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine [ACD/IUPAC Name]
3-(3-Phényl-1H-pyrazol-5-yl)-6-(4-pyridinyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine [French] [ACD/IUPAC Name]
7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3-(3-phenyl-1H-pyrazol-5-yl)-6-(4-pyridinyl)- [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: 719.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.1±35.7 °C
Index of Refraction: 1.835
Molar Refractivity: 102.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.57
ACD/KOC (pH 5.5): 354.17
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.56
ACD/KOC (pH 7.4): 354.07
Polar Surface Area: 110 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 71.2±7.0 dyne/cm
Molar Volume: 233.3±7.0 cm3

Click to predict properties on the Chemicalize site


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