ChemSpider 2D Image | Ethyl 2-[({[6-(4-chlorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C22H21ClN4O4S2

Ethyl 2-[({[6-(4-chlorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC22H21ClN4O4S2
  • Average mass505.009 Da
  • Monoisotopic mass504.069275 Da
  • ChemSpider ID21601932

More details:

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

2-[(2-{[6-(4-Chlorophényl)-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acétyl)amino]-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[2-[[6-(4-chlorophenyl)-4,5-dihydro-5-oxo-1,2,4-triazin-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-[({[6-(4-chlorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[({[6-(4-chlorphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 2-[({[6-(4-chlorophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.726
Molar Refractivity: 129.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2226.25
ACD/KOC (pH 5.5): 8534.64
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 453.08
ACD/KOC (pH 7.4): 1736.96
Polar Surface Area: 163 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 327.0±7.0 cm3

Click to predict properties on the Chemicalize site


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