ChemSpider 2D Image | 2-{[1-(Adamantan-1-yl)ethyl]amino}-2-oxoethyl 2-[(4-phenyl-1-piperazinyl)carbonyl]benzoate | C32H39N3O4

2-{[1-(Adamantan-1-yl)ethyl]amino}-2-oxoethyl 2-[(4-phenyl-1-piperazinyl)carbonyl]benzoate

  • Molecular FormulaC32H39N3O4
  • Average mass529.670 Da
  • Monoisotopic mass529.294067 Da
  • ChemSpider ID2646578

More details:

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

2-[(4-Phényl-1-pipérazinyl)carbonyl]benzoate de 2-{[1-(adamantan-1-yl)éthyl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{[1-(Adamantan-1-yl)ethyl]amino}-2-oxoethyl 2-[(4-phenyl-1-piperazinyl)carbonyl]benzoate [ACD/IUPAC Name]
2-{[1-(Adamantan-1-yl)ethyl]amino}-2-oxoethyl-2-[(4-phenyl-1-piperazinyl)carbonyl]benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-[(4-phenyl-1-piperazinyl)carbonyl]-, 2-oxo-2-[(1-tricyclo[3.3.1.13,7]dec-1-ylethyl)amino]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: 749.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 407.1±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1111.65
ACD/KOC (pH 5.5): 5267.43
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1114.36
ACD/KOC (pH 7.4): 5280.26
Polar Surface Area: 79 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 431.4±3.0 cm3

Click to predict properties on the Chemicalize site


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