ChemSpider 2D Image | Ethyl 2-[({[5-{[(3-methoxybenzoyl)amino]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate | C31H33N5O5S2

Ethyl 2-[({[5-{[(3-methoxybenzoyl)amino]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

  • Molecular FormulaC31H33N5O5S2
  • Average mass619.754 Da
  • Monoisotopic mass619.192322 Da
  • ChemSpider ID3802348

More details:

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

2-[(2-{[5-{[(3-Méthoxybenzoyl)amino]méthyl}-4-(2-phényléthyl)-4H-1,2,4-triazol-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, 5,6-dihydro-2-[[2-[[5-[[(3-methoxybenzoyl)amino]methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-[({[5-{[(3-methoxybenzoyl)amino]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[({[5-{[(3-methoxybenzoyl)amino]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 2-[({[5-{[(3-methoxybenzoyl)amino]methyl}-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio}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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 169.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9181.21
ACD/KOC (pH 5.5): 23890.74
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9181.33
ACD/KOC (pH 7.4): 23891.05
Polar Surface Area: 178 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 449.8±7.0 cm3

Click to predict properties on the Chemicalize site


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