ChemSpider 2D Image | Ethyl 2-[(4-{[(2-ethyl-6-oxo-4-phenyl-1(6H)-pyrimidinyl)acetyl](heptyl)amino}phenyl)sulfanyl]-2-methylpropanoate | C33H43N3O4S

Ethyl 2-[(4-{[(2-ethyl-6-oxo-4-phenyl-1(6H)-pyrimidinyl)acetyl](heptyl)amino}phenyl)sulfanyl]-2-methylpropanoate

  • Molecular FormulaC33H43N3O4S
  • Average mass577.777 Da
  • Monoisotopic mass577.297424 Da
  • ChemSpider ID8296439

More details:

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

2-[(4-{[2-(2-Éthyl-6-oxo-4-phényl-1(6H)-pyrimidinyl)acétyl](heptyl)amino}phényl)sulfanyl]-2-méthylpropanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-[(4-{[(2-ethyl-6-oxo-4-phenyl-1(6H)-pyrimidinyl)acetyl](heptyl)amino}phenyl)sulfanyl]-2-methylpropanoate [ACD/IUPAC Name]
Ethyl-2-[(4-{[(2-ethyl-6-oxo-4-phenyl-1(6H)-pyrimidinyl)acetyl](heptyl)amino}phenyl)sulfanyl]-2-methylpropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[[4-[[2-(2-ethyl-6-oxo-4-phenyl-1(6H)-pyrimidinyl)acetyl]heptylamino]phenyl]thio]-2-methyl-, ethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 690.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.4±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 169.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 101436.47
ACD/KOC (pH 5.5): 133355.95
ACD/LogD (pH 7.4): 6.89
ACD/BCF (pH 7.4): 101436.69
ACD/KOC (pH 7.4): 133356.25
Polar Surface Area: 105 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 517.5±7.0 cm3

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