ChemSpider 2D Image | Ethyl 2-({2-[(4-methyl-5-{[(2-thienylcarbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C23H27N5O4S3

Ethyl 2-({2-[(4-methyl-5-{[(2-thienylcarbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC23H27N5O4S3
  • Average mass533.687 Da
  • Monoisotopic mass533.122498 Da
  • ChemSpider ID4164858

More details:

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

2-({2-[(4-Méthyl-5-{[(2-thiénylcarbonyl)amino]méthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-[[4-methyl-5-[[(2-thienylcarbonyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-({2-[(4-methyl-5-{[(2-thienylcarbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-({2-[(4-methyl-5-{[(2-thienylcarbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 2-({2-[(4-methyl-5-{[(thien-2-ylcarbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

ChemDiv1_014204 [DBID]

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: 1.722
Molar Refractivity: 141.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 959.32
ACD/KOC (pH 5.5): 4743.34
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 959.36
ACD/KOC (pH 7.4): 4743.52
Polar Surface Area: 197 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 357.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement