ChemSpider 2D Image | Ethyl 3-{1-[(1-piperidinylsulfonyl)amino]ethyl}-1H-1,2,4-triazole-5-carboxylate | C12H21N5O4S

Ethyl 3-{1-[(1-piperidinylsulfonyl)amino]ethyl}-1H-1,2,4-triazole-5-carboxylate

  • Molecular FormulaC12H21N5O4S
  • Average mass331.391 Da
  • Monoisotopic mass331.131439 Da
  • ChemSpider ID64968637

More details:

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

1H-1,2,4-Triazole-5-carboxylic acid, 3-[1-[(1-piperidinylsulfonyl)amino]ethyl]-, ethyl ester [ACD/Index Name]
3-{1-[(1-Pipéridinylsulfonyl)amino]éthyl}-1H-1,2,4-triazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-{1-[(1-piperidinylsulfonyl)amino]ethyl}-1H-1,2,4-triazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-3-{1-[(1-piperidinylsulfonyl)amino]ethyl}-1H-1,2,4-triazol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 532.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.8±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 78.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 37.05
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.76
Polar Surface Area: 126 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 237.7±5.0 cm3

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