Found 121 results

Search term: MF = 'C_{18}H_{26}N_{4}O_{6}S_{2}'
ChemSpider 2D Image | Methyl 3-({4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-1-piperidinyl}sulfonyl)-2-thiophenecarboxylate | C18H26N4O6S2

Methyl 3-({4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-1-piperidinyl}sulfonyl)-2-thiophenecarboxylate

  • Molecular FormulaC18H26N4O6S2
  • Average mass458.552 Da
  • Monoisotopic mass458.129364 Da
  • ChemSpider ID58440114

More details:

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

2-Thiophenecarboxylic acid, 3-[[4-[4-ethyl-4,5-dihydro-1-(2-methoxyethyl)-5-oxo-1H-1,2,4-triazol-3-yl]-1-piperidinyl]sulfonyl]-, methyl ester [ACD/Index Name]
3-({4-[4-Éthyl-1-(2-méthoxyéthyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-1-pipéridinyl}sulfonyl)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-({4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-1-piperidinyl}sulfonyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-({4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-1-piperidinyl}sulfonyl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
methyl 3-((4-(4-ethyl-1-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)sulfonyl)thiophene-2-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 590.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.8±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 114.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.11
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 49.00
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.90
ACD/KOC (pH 7.4): 74.42
Polar Surface Area: 145 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 313.5±7.0 cm3

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