ChemSpider 2D Image | Ethyl 4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-3-[2-(4-pyridinyl)ethyl]-2-thioxo-1-imidazolidinyl)benzoate | C27H25FN4O4S

Ethyl 4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-3-[2-(4-pyridinyl)ethyl]-2-thioxo-1-imidazolidinyl)benzoate

  • Molecular FormulaC27H25FN4O4S
  • Average mass520.575 Da
  • Monoisotopic mass520.158081 Da
  • ChemSpider ID4101917

More details:

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

4-(4-{2-[(4-Fluorophényl)amino]-2-oxoéthyl}-5-oxo-3-[2-(4-pyridinyl)éthyl]-2-thioxo-1-imidazolidinyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-5-oxo-3-[2-(4-pyridinyl)ethyl]-2-thioxo-1-imidazolidinyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-3-[2-(4-pyridinyl)ethyl]-2-thioxo-1-imidazolidinyl)benzoate [ACD/IUPAC Name]
Ethyl-4-(4-{2-[(4-fluorphenyl)amino]-2-oxoethyl}-5-oxo-3-[2-(4-pyridinyl)ethyl]-2-thioxo-1-imidazolidinyl)benzoat [German] [ACD/IUPAC Name]
ETHYL 4-(4-{[(4-FLUOROPHENYL)CARBAMOYL]METHYL}-5-OXO-3-[2-(PYRIDIN-4-YL)ETHYL]-2-SULFANYLIDENEIMIDAZOLIDIN-1-YL)BENZOATE
ethyl 4-(4-{[N-(4-fluorophenyl)carbamoyl]methyl}-5-oxo-3-(2-(4-pyridyl)ethyl)-2-thioxo-1,3-diazolidinyl)benzoate
ethyl 4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-3-[2-(pyridin-4-yl)ethyl]-2-thioxoimidazolidin-1-yl)benzoate
ethyl 4-[4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-3-(2-pyridin-4-ylethyl)-2-thioxoimidazolidin-1-yl]benzoate

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

A3635/0154228 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 55.18
ACD/KOC (pH 5.5): 479.08
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 130.02
ACD/KOC (pH 7.4): 1128.87
Polar Surface Area: 124 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 372.7±5.0 cm3

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