ChemSpider 2D Image | Ethyl 2-{[({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate | C23H29N5O4S2

Ethyl 2-{[({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate

  • Molecular FormulaC23H29N5O4S2
  • Average mass503.638 Da
  • Monoisotopic mass503.166107 Da
  • ChemSpider ID12514297

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[2-({(4E)-1-Isobutyl-4-[(1-méthyl-1H-pyrazol-4-yl)méthylène]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acétyl]amino}-4,5-diméthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[2-[[(4E)-4,5-dihydro-1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1H-imidazol-2-yl]thio]acetyl]amino]-4,5-dimethyl-, ethyl ester [ACD/Index Name]
Ethyl 2-{[({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-{[({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylen]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
2-{2-[1-Isobutyl-4-(1-methyl-1H-pyrazol-4-ylmethylene)-5-oxo-4,5-dihydro-1H-imidazol-2-ylsulfanyl]-acetylamino}-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
ethyl 2-{[({1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}thio)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
ethyl 4,5-dimethyl-2-(2-{1-(2-methylpropyl)-4-[(1-methylpyrazol-4-yl)methylene]-5-oxo(1,3-diazolin-2-ylthio)}acetylamino)thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-{[({(4E)-1-(2-methylpropyl)-4-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}thiophene-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: 1.648
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 503.44
ACD/KOC (pH 5.5): 2989.91
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 503.44
ACD/KOC (pH 7.4): 2989.90
Polar Surface Area: 159 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 374.7±7.0 cm3

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