ChemSpider 2D Image | Methyl (2S,4S,6S,12bR)-4-(3-chlorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate | C29H32ClN5O2

Methyl (2S,4S,6S,12bR)-4-(3-chlorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate

  • Molecular FormulaC29H32ClN5O2
  • Average mass518.050 Da
  • Monoisotopic mass517.224426 Da
  • ChemSpider ID21385265

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4S,6S,12bR)-4-(3-Chlorophényl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine-6-carboxylic acid, 4-(3-chlorophenyl)-1,2,3,4,6,7,12,12b-octahydro-2-[[3-(1H-imidazol-1-yl)propyl]amino]-, methyl ester, (2S,4S,6S,12bR)- [ACD/Index Name]
Methyl (2S,4S,6S,12bR)-4-(3-chlorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate [ACD/IUPAC Name]
Methyl-(2S,4S,6S,12bR)-4-(3-chlorphenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 721.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.4±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.79
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 6.62
ACD/KOC (pH 7.4): 37.08
Polar Surface Area: 75 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 375.6±7.0 cm3

Click to predict properties on the Chemicalize site


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