ChemSpider 2D Image | N-(3-Chlorophenyl)-4-[1-cyclopentyl-2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-1-piperazinecarboxamide | C27H33ClN4O2

N-(3-Chlorophenyl)-4-[1-cyclopentyl-2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-1-piperazinecarboxamide

  • Molecular FormulaC27H33ClN4O2
  • Average mass481.030 Da
  • Monoisotopic mass480.229218 Da
  • ChemSpider ID22694981

More details:

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

1-Piperazinecarboxamide, N-(3-chlorophenyl)-4-[1-cyclopentyl-2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]- [ACD/Index Name]
N-(3-Chlorophényl)-4-[1-cyclopentyl-2-(3,4-dihydro-2(1H)-isoquinoléinyl)-2-oxoéthyl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-(3-Chlorophenyl)-4-[1-cyclopentyl-2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(3-Chlorphenyl)-4-[1-cyclopentyl-2-(3,4-dihydro-2(1H)-isochinolinyl)-2-oxoethyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.3±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2565.80
ACD/KOC (pH 5.5): 9168.55
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3001.24
ACD/KOC (pH 7.4): 10724.52
Polar Surface Area: 56 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 373.0±3.0 cm3

Click to predict properties on the Chemicalize site


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