ChemSpider 2D Image | 2-(Diethylamino)ethyl 4-[({1-[(2,6-difluorophenyl)acetyl]-4-piperidinyl}carbonyl)amino]benzoate | C27H33F2N3O4

2-(Diethylamino)ethyl 4-[({1-[(2,6-difluorophenyl)acetyl]-4-piperidinyl}carbonyl)amino]benzoate

  • Molecular FormulaC27H33F2N3O4
  • Average mass501.565 Da
  • Monoisotopic mass501.243927 Da
  • ChemSpider ID112564013

More details:

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

2-(Diethylamino)ethyl 4-[({1-[(2,6-difluorophenyl)acetyl]-4-piperidinyl}carbonyl)amino]benzoate [ACD/IUPAC Name]
2-(Diethylamino)ethyl-4-[({1-[(2,6-difluorphenyl)acetyl]-4-piperidinyl}carbonyl)amino]benzoat [German] [ACD/IUPAC Name]
4-[({1-[2-(2,6-Difluorophényl)acétyl]-4-pipéridinyl}carbonyl)amino]benzoate de 2-(diéthylamino)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[1-[2-(2,6-difluorophenyl)acetyl]-4-piperidinyl]carbonyl]amino]-, 2-(diethylamino)ethyl ester [ACD/Index 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: 682.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 132.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 5.01
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 17.19
ACD/KOC (pH 7.4): 83.07
Polar Surface Area: 79 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 404.2±3.0 cm3

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