Found 35 results

Search term: MF = 'C_{18}H_{20}N_{2}O_{6}S_{3}'
ChemSpider 2D Image | Ethyl 2-{[N-(2-thienylcarbonyl)-beta-alanyl]amino}-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate 6,6-dioxide | C18H20N2O6S3

Ethyl 2-{[N-(2-thienylcarbonyl)-β-alanyl]amino}-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate 6,6-dioxide

  • Molecular FormulaC18H20N2O6S3
  • Average mass456.556 Da
  • Monoisotopic mass456.048340 Da
  • ChemSpider ID33110073

More details:

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

5H-Thieno[2,3-c]thiopyran-3-carboxylic acid, 4,7-dihydro-2-[[1-oxo-3-[(2-thienylcarbonyl)amino]propyl]amino]-, ethyl ester, 6,6-dioxide [ACD/Index Name]
6,6-Dioxyde de 2-{[N-(2-thiénylcarbonyl)-β-alanyl]amino}-4,7-dihydro-5H-thiéno[2,3-c]thiopyrane-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-{[N-(2-thienylcarbonyl)-β-alanyl]amino}-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate 6,6-dioxide [ACD/IUPAC Name]
Ethyl-2-{[N-(2-thienylcarbonyl)-β-alanyl]amino}-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylat-6,6-dioxid [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: 864.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 476.5±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.88
ACD/KOC (pH 5.5): 240.41
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.88
ACD/KOC (pH 7.4): 240.41
Polar Surface Area: 184 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 310.5±3.0 cm3

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