ChemSpider 2D Image | 3-(4-Chlorobenzyl)-9-methoxy-N-[2-(2-thienyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide | C27H30ClN3O2S

3-(4-Chlorobenzyl)-9-methoxy-N-[2-(2-thienyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide

  • Molecular FormulaC27H30ClN3O2S
  • Average mass496.064 Da
  • Monoisotopic mass495.174713 Da
  • ChemSpider ID22598577

More details:

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

1H-Pyrazino[1,2-a]quinoline-5-carboxamide, 3-[(4-chlorophenyl)methyl]-2,3,4,4a,5,6-hexahydro-9-methoxy-N-[2-(2-thienyl)ethyl]- [ACD/Index Name]
3-(4-Chlorbenzyl)-9-methoxy-N-[2-(2-thienyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]chinolin-5-carboxamid [German] [ACD/IUPAC Name]
3-(4-Chlorobenzyl)-9-méthoxy-N-[2-(2-thiényl)éthyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoléine-5-carboxamide [French] [ACD/IUPAC Name]
3-(4-Chlorobenzyl)-9-methoxy-N-[2-(2-thienyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide [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: 705.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.7±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 703.87
ACD/KOC (pH 5.5): 2345.63
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3638.87
ACD/KOC (pH 7.4): 12126.51
Polar Surface Area: 73 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 375.5±5.0 cm3

Click to predict properties on the Chemicalize site


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