ChemSpider 2D Image | Ethyl 5-({4-[2-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)ethyl]-1-piperazinyl}sulfonyl)-2-furoate | C19H23N5O6S

Ethyl 5-({4-[2-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)ethyl]-1-piperazinyl}sulfonyl)-2-furoate

  • Molecular FormulaC19H23N5O6S
  • Average mass449.481 Da
  • Monoisotopic mass449.136902 Da
  • ChemSpider ID26109727

More details:

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

2-Furancarboxylic acid, 5-[[4-[2-(3-oxo-1,2,4-triazolo[4,3-a]pyridin-2(3H)-yl)ethyl]-1-piperazinyl]sulfonyl]-, ethyl ester [ACD/Index Name]
5-({4-[2-(3-Oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)éthyl]-1-pipérazinyl}sulfonyl)-2-furoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-({4-[2-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)ethyl]-1-piperazinyl}sulfonyl)-2-furoate [ACD/IUPAC Name]
Ethyl-5-({4-[2-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)ethyl]-1-piperazinyl}sulfonyl)-2-furoat [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: 611.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.9±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.43
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 39.03
Polar Surface Area: 124 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 64.8±7.0 dyne/cm
Molar Volume: 299.0±7.0 cm3

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