ChemSpider 2D Image | Ethyl (2R)-3-{4-[(4-{[(1S)-1-cyclohexylethyl]carbamoyl}-2-phenyl-3-quinolinyl)methyl]-1-piperazinyl}-2-phenylpropanoate | C40H48N4O3

Ethyl (2R)-3-{4-[(4-{[(1S)-1-cyclohexylethyl]carbamoyl}-2-phenyl-3-quinolinyl)methyl]-1-piperazinyl}-2-phenylpropanoate

  • Molecular FormulaC40H48N4O3
  • Average mass632.834 Da
  • Monoisotopic mass632.372620 Da
  • ChemSpider ID8480214

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-{4-[(4-{[(1S)-1-Cyclohexyléthyl]carbamoyl}-2-phényl-3-quinoléinyl)méthyl]-1-pipérazinyl}-2-phénylpropanoate d'éthyle [French] [ACD/IUPAC Name]
1-Piperazinepropanoic acid, 4-[[4-[[[(1S)-1-cyclohexylethyl]amino]carbonyl]-2-phenyl-3-quinolinyl]methyl]-α-phenyl-, ethyl ester, (αR)- [ACD/Index Name]
Ethyl (2R)-3-{4-[(4-{[(1S)-1-cyclohexylethyl]carbamoyl}-2-phenyl-3-quinolinyl)methyl]-1-piperazinyl}-2-phenylpropanoate [ACD/IUPAC Name]
Ethyl-(2R)-3-{4-[(4-{[(1S)-1-cyclohexylethyl]carbamoyl}-2-phenyl-3-chinolinyl)methyl]-1-piperazinyl}hydratropaat [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: 766.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.6±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 188.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 6110.35
ACD/KOC (pH 5.5): 9657.83
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 48357.36
ACD/KOC (pH 7.4): 76432.22
Polar Surface Area: 75 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 548.9±3.0 cm3

Click to predict properties on the Chemicalize site


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