ChemSpider 2D Image | 1-({4-[(5-Chloro-2-thienyl)sulfonyl]-1-piperazinyl}methyl)-4-methyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one | C19H19ClN6O3S2

1-({4-[(5-Chloro-2-thienyl)sulfonyl]-1-piperazinyl}methyl)-4-methyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

  • Molecular FormulaC19H19ClN6O3S2
  • Average mass478.976 Da
  • Monoisotopic mass478.064850 Da
  • ChemSpider ID22534290

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-[(5-chloro-2-thienyl)sulfonyl]-1-piperazinyl]methyl]-4-methyl- [ACD/Index Name]
1-({4-[(5-Chlor-2-thienyl)sulfonyl]-1-piperazinyl}methyl)-4-methyl[1,2,4]triazolo[4,3-a]chinazolin-5(4H)-on [German] [ACD/IUPAC Name]
1-({4-[(5-Chloro-2-thienyl)sulfonyl]-1-piperazinyl}methyl)-4-methyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [ACD/IUPAC Name]
1-({4-[(5-Chloro-2-thiényl)sulfonyl]-1-pipérazinyl}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: 1.7±0.1 g/cm3
Boiling Point: 727.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.7±35.7 °C
Index of Refraction: 1.789
Molar Refractivity: 122.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.72
ACD/KOC (pH 5.5): 715.59
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.78
ACD/KOC (pH 7.4): 726.64
Polar Surface Area: 128 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 74.2±7.0 dyne/cm
Molar Volume: 288.8±7.0 cm3

Click to predict properties on the Chemicalize site


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