ChemSpider 2D Image | 2-[4-(Adamantan-1-yl)-1-piperazinyl]-2-oxoethyl N-benzoylphenylalaninate | C32H39N3O4

2-[4-(Adamantan-1-yl)-1-piperazinyl]-2-oxoethyl N-benzoylphenylalaninate

  • Molecular FormulaC32H39N3O4
  • Average mass529.670 Da
  • Monoisotopic mass529.294067 Da
  • ChemSpider ID4460337

More details:

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

2-[4-(Adamantan-1-yl)-1-piperazinyl]-2-oxoethyl N-benzoylphenylalaninate [ACD/IUPAC Name]
2-[4-(Adamantan-1-yl)-1-piperazinyl]-2-oxoethyl-N-benzoylphenylalaninat [German] [ACD/IUPAC Name]
2-[4-(Adamantan-1-yl)piperazin-1-yl]-2-oxoethyl N-benzoylphenylalaninate
N-Benzoylphénylalaninate de 2-[4-(adamantan-1-yl)-1-pipérazinyl]-2-oxoéthyle [French] [ACD/IUPAC Name]
Phenylalanine, N-benzoyl-, 2-oxo-2-(4-tricyclo[3.3.1.13,7]dec-1-yl-1-piperazinyl)ethyl ester [ACD/Index Name]
2-(4-adamantanylpiperazinyl)-2-oxoethyl 3-phenyl-2-(phenylcarbonylamino)propanoate
2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl N-benzoylphenylalaninate
2-Benzoylamino-3-phenyl-propionic acid 2-(4-adamantan-1-yl-piperazin-1-yl)-2-oxo-ethyl ester
2-oxo-2-[4-(tricyclo[3.3.1.13,7]dec-1-yl)piperazin-1-yl]ethyl N-(phenylcarbonyl)phenylalaninate

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

A3904/0166066 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 742.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 403.1±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 148.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 346.09
ACD/KOC (pH 5.5): 1263.40
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2561.20
ACD/KOC (pH 7.4): 9349.54
Polar Surface Area: 79 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 426.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement