ChemSpider 2D Image | Ethyl 4-[butyl(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)amino]-4-oxobutanoate | C29H33FN2O6

Ethyl 4-[butyl(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)amino]-4-oxobutanoate

  • Molecular FormulaC29H33FN2O6
  • Average mass524.581 Da
  • Monoisotopic mass524.232239 Da
  • ChemSpider ID2895601

More details:

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

4-[Butyl(2-{(4-fluorobenzyl)[(4-oxo-4H-chromén-3-yl)méthyl]amino}-2-oxoéthyl)amino]-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[butyl[2-[[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]amino]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-[butyl(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-[butyl(2-{(4-fluorbenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)amino]-4-oxobutanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.5±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 592.00
ACD/KOC (pH 5.5): 3357.61
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 592.00
ACD/KOC (pH 7.4): 3357.61
Polar Surface Area: 93 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 427.9±3.0 cm3

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