ChemSpider 2D Image | 4-{2-[4-(Butyrylamino)phenyl]-2-oxoethyl} 3,5-diethyl 2,6-dimethyl-1,4-dihydro-3,4,5-pyridinetricarboxylate | C26H32N2O8

4-{2-[4-(Butyrylamino)phenyl]-2-oxoethyl} 3,5-diethyl 2,6-dimethyl-1,4-dihydro-3,4,5-pyridinetricarboxylate

  • Molecular FormulaC26H32N2O8
  • Average mass500.541 Da
  • Monoisotopic mass500.215851 Da
  • ChemSpider ID21988395

More details:

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

2,6-Diméthyl-1,4-dihydro-3,4,5-pyridinetricarboxylate de 4-{2-[4-(butyrylamino)phényl]-2-oxoéthyle} et de 3,5-diéthyle [French] [ACD/IUPAC Name]
3,4,5-Pyridinetricarboxylic acid, 1,4-dihydro-2,6-dimethyl-, 3,5-diethyl 4-[2-oxo-2-[4-[(1-oxobutyl)amino]phenyl]ethyl] ester [ACD/Index Name]
4-{2-[4-(Butyrylamino)phenyl]-2-oxoethyl} 3,5-diethyl 2,6-dimethyl-1,4-dihydro-3,4,5-pyridinetricarboxylate [ACD/IUPAC Name]
4-{2-[4-(Butyrylamino)phenyl]-2-oxoethyl}-3,5-diethyl-2,6-dimethyl-1,4-dihydro-3,4,5-pyridintricarboxylat [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: 683.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.3±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 909.43
ACD/KOC (pH 5.5): 4564.55
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 910.07
ACD/KOC (pH 7.4): 4567.79
Polar Surface Area: 137 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 408.9±3.0 cm3

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