ChemSpider 2D Image | Ethyl 4-(7-{[4-(diethylamino)-2-methylphenyl]carbamoyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-1-piperidinecarboxylate | C28H36N4O4

Ethyl 4-(7-{[4-(diethylamino)-2-methylphenyl]carbamoyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-1-piperidinecarboxylate

  • Molecular FormulaC28H36N4O4
  • Average mass492.610 Da
  • Monoisotopic mass492.273651 Da
  • ChemSpider ID21903788

More details:

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

1-Piperidinecarboxylic acid, 4-[7-[[[4-(diethylamino)-2-methylphenyl]amino]carbonyl]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]-, ethyl ester [ACD/Index Name]
4-(7-{[4-(Diéthylamino)-2-méthylphényl]carbamoyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(7-{[4-(diethylamino)-2-methylphenyl]carbamoyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(7-{[4-(diethylamino)-2-methylphenyl]carbamoyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-(7-{[4-(DIETHYLAMINO)-2-METHYLPHENYL]CARBAMOYL}-1-OXO-3H-ISOINDOL-2-YL)PIPERIDINE-1-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 627.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.3±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 140.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 21.06
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 88.82
ACD/KOC (pH 7.4): 698.87
Polar Surface Area: 82 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 397.5±3.0 cm3

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