ChemSpider 2D Image | 1-({[4-Cyclopropyl-5-(4-methyl-1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4,7-dimethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one | C23H28N8OS

1-({[4-Cyclopropyl-5-(4-methyl-1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4,7-dimethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

  • Molecular FormulaC23H28N8OS
  • Average mass464.586 Da
  • Monoisotopic mass464.210663 Da
  • ChemSpider ID33553527

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-cyclopropyl-5-(4-methyl-1-piperidinyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-4,7-dimethyl- [ACD/Index Name]
1-({[4-Cyclopropyl-5-(4-methyl-1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4,7-dimethyl[1,2,4]triazolo[4,3-a]chinazolin-5(4H)-on [German] [ACD/IUPAC Name]
1-({[4-Cyclopropyl-5-(4-methyl-1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4,7-dimethyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [ACD/IUPAC Name]
1-({[4-Cyclopropyl-5-(4-méthyl-1-pipéridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)-4,7-diméthyl[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: 1.5±0.1 g/cm3
Boiling Point: 746.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.3±35.7 °C
Index of Refraction: 1.800
Molar Refractivity: 129.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 95.15
ACD/KOC (pH 5.5): 878.77
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.33
ACD/KOC (pH 7.4): 982.00
Polar Surface Area: 110 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 302.6±7.0 cm3

Click to predict properties on the Chemicalize site


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