ChemSpider 2D Image | Ethyl 2-[({[6-(2-chlorobenzyl)-5-hydroxy-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate | C22H21ClN4O4S2

Ethyl 2-[({[6-(2-chlorobenzyl)-5-hydroxy-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

  • Molecular FormulaC22H21ClN4O4S2
  • Average mass505.009 Da
  • Monoisotopic mass504.069275 Da
  • ChemSpider ID12243909

More details:

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

2-[(2-{[6-(2-Chlorobenzyl)-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acétyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-[[6-[(2-chlorophenyl)methyl]-5-hydroxy-1,2,4-triazin-3-yl]thio]acetyl]amino]-5,6-dihydro-, ethyl ester [ACD/Index Name]
Ethyl 2-[({[6-(2-chlorobenzyl)-5-hydroxy-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Ethyl 2-[({[6-(2-chlorobenzyl)-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[({[6-(2-chlorbenzyl)-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 2-(2-{6-[(2-chlorophenyl)methyl]-5-hydroxy-1,2,4-triazin-3-ylthio}acetylamino)-4,5,6-trihydrocyclopenta[2,1-b]thiophene-3-carboxylate
ethyl 2-[({[6-(2-chlorobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-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: 1.689
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 331.02
ACD/KOC (pH 5.5): 1049.87
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 7.80
ACD/KOC (pH 7.4): 24.75
Polar Surface Area: 168 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 84.4±5.0 dyne/cm
Molar Volume: 333.4±5.0 cm3

Click to predict properties on the Chemicalize site


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