ChemSpider 2D Image | 4-(3-Isopropoxypropyl)-7-methyl-1-{[3-(trifluoromethyl)benzyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one | C24H25F3N4O2S

4-(3-Isopropoxypropyl)-7-methyl-1-{[3-(trifluoromethyl)benzyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

  • Molecular FormulaC24H25F3N4O2S
  • Average mass490.541 Da
  • Monoisotopic mass490.165039 Da
  • ChemSpider ID22976143

More details:

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

[1,2,4]Triazolo[4,3-a]quinazolin-5(4H)-one, 7-methyl-4-[3-(1-methylethoxy)propyl]-1-[[[3-(trifluoromethyl)phenyl]methyl]thio]- [ACD/Index Name]
4-(3-Isopropoxypropyl)-7-methyl-1-{[3-(trifluormethyl)benzyl]sulfanyl}[1,2,4]triazolo[4,3-a]chinazolin-5(4H)-on [German] [ACD/IUPAC Name]
4-(3-Isopropoxypropyl)-7-methyl-1-{[3-(trifluoromethyl)benzyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [ACD/IUPAC Name]
4-(3-Isopropoxypropyl)-7-méthyl-1-{[3-(trifluorométhyl)benzyl]sulfanyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one [French] [ACD/IUPAC Name]
4-(3-isopropoxypropyl)-7-methyl-1-{[3-(trifluoromethyl)benzyl]thio}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.3±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 126.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15186.98
ACD/KOC (pH 5.5): 34251.34
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15187.84
ACD/KOC (pH 7.4): 34253.29
Polar Surface Area: 86 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 365.2±7.0 cm3

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