ChemSpider 2D Image | Ethyl 4-(4-{[N-(ethylsulfonyl)-N-propylglycyl](2-methylbenzyl)amino}-1-piperidinyl)-4-oxobutanoate | C26H41N3O6S

Ethyl 4-(4-{[N-(ethylsulfonyl)-N-propylglycyl](2-methylbenzyl)amino}-1-piperidinyl)-4-oxobutanoate

  • Molecular FormulaC26H41N3O6S
  • Average mass523.685 Da
  • Monoisotopic mass523.271606 Da
  • ChemSpider ID22790098

More details:

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

1-Piperidinebutanoic acid, 4-[[2-[(ethylsulfonyl)propylamino]acetyl][(2-methylphenyl)methyl]amino]-γ-oxo-, ethyl ester [ACD/Index Name]
4-(4-{[N-(Éthylsulfonyl)-N-propylglycyl](2-méthylbenzyl)amino}-1-pipéridinyl)-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(4-{[N-(ethylsulfonyl)-N-propylglycyl](2-methylbenzyl)amino}-1-piperidinyl)-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-(4-{[N-(ethylsulfonyl)-N-propylglycyl](2-methylbenzyl)amino}-1-piperidinyl)-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: 698.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.4±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 236.30
ACD/KOC (pH 5.5): 1739.91
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.30
ACD/KOC (pH 7.4): 1739.92
Polar Surface Area: 113 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 432.3±5.0 cm3

Click to predict properties on the Chemicalize site


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