ChemSpider 2D Image | Ethyl 4-[({1-(4-methylphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate | C29H36N4O4S

Ethyl 4-[({1-(4-methylphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate

  • Molecular FormulaC29H36N4O4S
  • Average mass536.685 Da
  • Monoisotopic mass536.245728 Da
  • ChemSpider ID21897836

More details:

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

4-[(2-{1-(4-Méthylphényl)-3-[2-(4-méthyl-1-pipéridinyl)éthyl]-5-oxo-2-thioxo-4-imidazolidinyl}acétyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[1-(4-methylphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[({1-(4-methylphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[({1-(4-methylphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoat [German] [ACD/IUPAC Name]
ETHYL 4-{2-[1-(4-METHYLPHENYL)-3-[2-(4-METHYLPIPERIDIN-1-YL)ETHYL]-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL]ACETAMIDO}BENZOATE

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: 1.641
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 8.92
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 76.97
ACD/KOC (pH 7.4): 380.10
Polar Surface Area: 114 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 417.2±5.0 cm3

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