ChemSpider 2D Image | Ethyl 4-(4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-[3-(4-methyl-1-piperidinyl)propyl]-5-oxo-2-thioxo-1-imidazolidinyl)benzoate | C31H40N4O5S

Ethyl 4-(4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-[3-(4-methyl-1-piperidinyl)propyl]-5-oxo-2-thioxo-1-imidazolidinyl)benzoate

  • Molecular FormulaC31H40N4O5S
  • Average mass580.738 Da
  • Monoisotopic mass580.271912 Da
  • ChemSpider ID22494829

More details:

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

4-(4-{2-[(4-Éthoxyphényl)amino]-2-oxoéthyl}-3-[3-(4-méthyl-1-pipéridinyl)propyl]-5-oxo-2-thioxo-1-imidazolidinyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4-[2-[(4-ethoxyphenyl)amino]-2-oxoethyl]-3-[3-(4-methyl-1-piperidinyl)propyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-[3-(4-methyl-1-piperidinyl)propyl]-5-oxo-2-thioxo-1-imidazolidinyl)benzoate [ACD/IUPAC Name]
Ethyl-4-(4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-3-[3-(4-methyl-1-piperidinyl)propyl]-5-oxo-2-thioxo-1-imidazolidinyl)benzoat [German] [ACD/IUPAC Name]
ETHYL 4-(4-{[(4-ETHOXYPHENYL)CARBAMOYL]METHYL}-3-[3-(4-METHYLPIPERIDIN-1-YL)PROPYL]-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-1-YL)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: 1.628
Molar Refractivity: 161.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.42
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 13.03
ACD/KOC (pH 7.4): 65.38
Polar Surface Area: 124 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 455.3±5.0 cm3

Click to predict properties on the Chemicalize site


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