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Search term: HJBMQFGLONEPCK-UQQQWYQISA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 5-{[(5Z)-3-butyl-5-({2-butyl-1-[4-(methoxycarbonyl)benzyl]-1H-imidazol-5-yl}methylene)-2,4-dioxo-1-imidazolidinyl]methyl}-2-thiophenecarboxylate | C31H36N4O6S

Methyl 5-{[(5Z)-3-butyl-5-({2-butyl-1-[4-(methoxycarbonyl)benzyl]-1H-imidazol-5-yl}methylene)-2,4-dioxo-1-imidazolidinyl]methyl}-2-thiophenecarboxylate

  • Molecular FormulaC31H36N4O6S
  • Average mass592.706 Da
  • Monoisotopic mass592.235535 Da
  • ChemSpider ID8659004

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Thiophenecarboxylic acid, 5-[[(5Z)-3-butyl-5-[[2-butyl-1-[[4-(methoxycarbonyl)phenyl]methyl]-1H-imidazol-5-yl]methylene]-2,4-dioxo-1-imidazolidinyl]methyl]-, methyl ester [ACD/Index Name]
5-{[(5Z)-3-Butyl-5-({2-butyl-1-[4-(méthoxycarbonyl)benzyl]-1H-imidazol-5-yl}méthylène)-2,4-dioxo-1-imidazolidinyl]méthyl}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{[(5Z)-3-butyl-5-({2-butyl-1-[4-(methoxycarbonyl)benzyl]-1H-imidazol-5-yl}methylene)-2,4-dioxo-1-imidazolidinyl]methyl}-2-thiophenecarboxylate [ACD/IUPAC Name]
methyl 5-{[(5Z)-3-butyl-5-({2-butyl-1-[4-(methoxycarbonyl)benzyl]-1H-imidazol-5-yl}methylidene)-2,4-dioxoimidazolidin-1-yl]methyl}thiophene-2-carboxylate
Methyl-5-{[(5Z)-3-butyl-5-({2-butyl-1-[4-(methoxycarbonyl)benzyl]-1H-imidazol-5-yl}methylen)-2,4-dioxo-1-imidazolidinyl]methyl}-2-thiophencarboxylat [German] [ACD/IUPAC Name]
5-{3-Butyl-5-[1-[2-butyl-3-(4-methoxycarbonyl-benzyl)-3H-imidazol-4-yl]-meth-(Z)-ylidene]-2,4-dioxo-imidazolidin-1-ylmethyl}-thiophene-2-carboxylic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL419421/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 736.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.4±35.7 °C
Index of Refraction: 1.617
Molar Refractivity: 163.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3887.10
ACD/KOC (pH 5.5): 12630.14
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4198.56
ACD/KOC (pH 7.4): 13642.14
Polar Surface Area: 139 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 466.9±7.0 cm3

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