ChemSpider 2D Image | Ethyl 5-{[(2R)-1-ethoxy-1,3-dioxo-2-butanyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate | C18H20N4O5S

Ethyl 5-{[(2R)-1-ethoxy-1,3-dioxo-2-butanyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate

  • Molecular FormulaC18H20N4O5S
  • Average mass404.440 Da
  • Monoisotopic mass404.115448 Da
  • ChemSpider ID25057580

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1,2,3]Triazolo[1,5-a]quinazoline-3-carboxylic acid, 5-[[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]thio]-1,2-dihydro-, ethyl ester [ACD/Index Name]
5-{[(2R)-1-Éthoxy-1,3-dioxo-2-butanyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-{[(1r)-1-(Ethoxycarbonyl)-2-Oxopropyl]sulfanyl}-1,2-Dihydro[1,2,3]triazolo[1,5-A]quinazoline-3-Carboxylate
Ethyl 5-{[(2R)-1-ethoxy-1,3-dioxo-2-butanyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-{[(2R)-1-ethoxy-1,3-dioxo-2-butanyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]chinazolin-3-carboxylat [German] [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: 490.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 250.6±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.71
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.96
Polar Surface Area: 135 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 278.4±7.0 cm3

Click to predict properties on the Chemicalize site


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