ChemSpider 2D Image | Ethyl 2-({[(5-{(2E)-2-[1-(4-aminophenyl)ethylidene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C23H27N7O3S2

Ethyl 2-({[(5-{(2E)-2-[1-(4-aminophenyl)ethylidene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC23H27N7O3S2
  • Average mass513.636 Da
  • Monoisotopic mass513.161682 Da
  • ChemSpider ID62342029

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({2-[(5-{(2E)-2-[1-(4-Aminophényl)éthylidène]hydrazino}-1H-1,2,4-triazol-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-[[5-[(2E)-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-({[(5-{(2E)-2-[1-(4-aminophenyl)ethylidene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-({[(5-{(2E)-2-[1-(4-aminophenyl)ethyliden]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [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: 1.734
Molar Refractivity: 136.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1793.17
ACD/KOC (pH 5.5): 7378.39
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1818.89
ACD/KOC (pH 7.4): 7484.20
Polar Surface Area: 201 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 341.7±7.0 cm3

Click to predict properties on the Chemicalize site


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