ChemSpider 2D Image | Ethyl {[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetate | C21H19N5O6S

Ethyl {[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetate

  • Molecular FormulaC21H19N5O6S
  • Average mass469.470 Da
  • Monoisotopic mass469.105591 Da
  • ChemSpider ID22464705

More details:

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

{[8,9-Diméthoxy-2-(4-nitrophényl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-, ethyl ester [ACD/Index Name]
Ethyl {[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetate [ACD/IUPAC Name]
Ethyl-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]chinazolin-5-yl]sulfanyl}acetat [German] [ACD/IUPAC Name]
901756-18-1 [RN]
ethyl 2-((8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio)acetate
ethyl 2-{[8,9-dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetate
MFCD01960350

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 120.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 737.47
ACD/KOC (pH 5.5): 3929.46
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 737.47
ACD/KOC (pH 7.4): 3929.46
Polar Surface Area: 159 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 315.2±7.0 cm3

Click to predict properties on the Chemicalize site


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