ChemSpider 2D Image | Ethyl 2-{[({(4Z)-1-cyclopropyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C24H27N5O4S2

Ethyl 2-{[({(4Z)-1-cyclopropyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC24H27N5O4S2
  • Average mass513.632 Da
  • Monoisotopic mass513.150452 Da
  • ChemSpider ID12530557

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[2-({(4Z)-1-Cyclopropyl-4-[(1-méthyl-1H-pyrazol-4-yl)méthylène]-5-oxo-4,5-dihydro-1H-imidazol-2-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-[[(4Z)-1-cyclopropyl-4,5-dihydro-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1H-imidazol-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-{[({(4Z)-1-cyclopropyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[({(4Z)-1-cyclopropyl-4-[(1-methyl-1H-pyrazol-4-yl)methylen]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-{2-[1-Cyclopropyl-4-(1-methyl-1H-pyrazol-4-ylmethylene)-5-oxo-4,5-dihydro-1H-imidazol-2-ylsulfanyl]-acetylamino}-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
ethyl 2-(2-{1-cyclopropyl-4-[(1-methylpyrazol-4-yl)methylene]-5-oxo-1,3-diazolin-2-ylthio}acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
ethyl 2-{[({(4Z)-1-cyclopropyl-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[({1-cyclopropyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-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: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.745
Molar Refractivity: 136.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 438.36
ACD/KOC (pH 5.5): 2707.87
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 438.36
ACD/KOC (pH 7.4): 2707.83
Polar Surface Area: 159 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 337.2±7.0 cm3

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