Found 143 results

Search term: MF = 'C_{16}H_{18}N_{4}O_{6}S_{2}'
ChemSpider 2D Image | Diethyl 3-methyl-5-({[(5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}amino)-2,4-thiophenedicarboxylate | C16H18N4O6S2

Diethyl 3-methyl-5-({[(5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}amino)-2,4-thiophenedicarboxylate

  • Molecular FormulaC16H18N4O6S2
  • Average mass426.467 Da
  • Monoisotopic mass426.066772 Da
  • ChemSpider ID23391118

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[2-[(4,5-dihydro-5-oxo-1,2,4-triazin-3-yl)thio]acetyl]amino]-3-methyl-, diethyl ester [ACD/Index Name]
3-Méthyl-5-({2-[(5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acétyl}amino)-2,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 3-methyl-5-({[(5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}amino)-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl 3-methyl-5-({[(5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}amino)thiophene-2,4-dicarboxylate
Diethyl-3-methyl-5-({[(5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}amino)-2,4-thiophendicarboxylat [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 104.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.17
ACD/KOC (pH 5.5): 513.53
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 22.33
ACD/KOC (pH 7.4): 265.69
Polar Surface Area: 189 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 280.4±7.0 cm3

Click to predict properties on the Chemicalize site


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