ChemSpider 2D Image | Ethyl 4-(3-{[(2,2-dimethyltetrahydro-2H-pyran-4-yl)amino]methyl}-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1-piperazinecarboxylate | C27H38N4O3

Ethyl 4-(3-{[(2,2-dimethyltetrahydro-2H-pyran-4-yl)amino]methyl}-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1-piperazinecarboxylate

  • Molecular FormulaC27H38N4O3
  • Average mass466.616 Da
  • Monoisotopic mass466.294403 Da
  • ChemSpider ID22203724

More details:

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

1-Piperazinecarboxylic acid, 4-[7,8-dihydro-3-[[(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)amino]methyl]-6H-cyclopenta[g]quinolin-2-yl]-, ethyl ester [ACD/Index Name]
4-(3-{[(2,2-Diméthyltétrahydro-2H-pyran-4-yl)amino]méthyl}-7,8-dihydro-6H-cyclopenta[g]quinoléin-2-yl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(3-{[(2,2-dimethyltetrahydro-2H-pyran-4-yl)amino]methyl}-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(3-{[(2,2-dimethyltetrahydro-2H-pyran-4-yl)amino]methyl}-7,8-dihydro-6H-cyclopenta[g]chinolin-2-yl)-1-piperazincarboxylat [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: 632.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.4±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 5.32
ACD/KOC (pH 5.5): 26.26
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 290.17
ACD/KOC (pH 7.4): 1432.63
Polar Surface Area: 67 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 382.3±5.0 cm3

Click to predict properties on the Chemicalize site


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