ChemSpider 2D Image | Ethyl 2-[({[5-{[(phenylacetyl)amino]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C32H35N5O4S2

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

  • Molecular FormulaC32H35N5O4S2
  • Average mass617.781 Da
  • Monoisotopic mass617.213074 Da
  • ChemSpider ID3496796

More details:

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

2-[(2-{[5-{[(2-Phénylacétyl)amino]méthyl}-4-(2-phényléthyl)-4H-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, 4,5,6,7-tetrahydro-2-[[2-[[5-[[(2-phenylacetyl)amino]methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-[({[5-{[(phenylacetyl)amino]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[({[5-{[(phenylacetyl)amino]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 2-[({[5-{[(phenylacetyl)amino]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio}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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 172.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 24845.46
ACD/KOC (pH 5.5): 48719.16
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24845.62
ACD/KOC (pH 7.4): 48719.48
Polar Surface Area: 169 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 460.2±7.0 cm3

Click to predict properties on the Chemicalize site


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