Found 25 results

Search term: MF = 'C_{19}H_{16}N_{8}OS'
ChemSpider 2D Image | 1-{[(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-methyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one | C19H16N8OS

1-{[(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-methyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

  • Molecular FormulaC19H16N8OS
  • Average mass404.448 Da
  • Monoisotopic mass404.116791 Da
  • ChemSpider ID31325353

More details:

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

[1,2,4]Triazolo[4,3-a]quinazolin-5(4H)-one, 1-[[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]methyl]-4-methyl- [ACD/Index Name]
1-{[(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-methyl[1,2,4]triazolo[4,3-a]chinazolin-5(4H)-on [German] [ACD/IUPAC Name]
1-{[(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-methyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [ACD/IUPAC Name]
1-{[(4-Amino-5-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]méthyl}-4-méthyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 761.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.6±35.7 °C
Index of Refraction: 1.830
Molar Refractivity: 111.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.97
ACD/KOC (pH 5.5): 327.99
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.97
ACD/KOC (pH 7.4): 328.03
Polar Surface Area: 133 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 75.3±7.0 dyne/cm
Molar Volume: 254.6±7.0 cm3

Click to predict properties on the Chemicalize site


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