ChemSpider 2D Image | 2-[(1S,12bS)-1-{[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl}-12b-ethyl-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-methyl-2-propanyl)acetamide | C32H43N5O4

2-[(1S,12bS)-1-{[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl}-12b-ethyl-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-methyl-2-propanyl)acetamide

  • Molecular FormulaC32H43N5O4
  • Average mass561.715 Da
  • Monoisotopic mass561.331482 Da
  • ChemSpider ID26396807

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-[(1S,12bS)-1-{[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl}-12b-ethyl-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-3-yl]-N-(2-methyl-2-propanyl)acetamid [German] [ACD/IUPAC Name]
2-[(1S,12bS)-1-{[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl}-12b-ethyl-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-methyl-2-propanyl)acetamide [ACD/IUPAC Name]
2-[(1S,12bS)-1-{[4-(Cyclopropylcarbonyl)-1-pipérazinyl]carbonyl}-12b-éthyl-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-méthyl-2-propanyl)acétamide [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine-3-acetamide, 1-[[4-(cyclopropylcarbonyl)-1-piperazinyl]carbonyl]-N-(1,1-dimethylethyl)-12b-ethyl-1,2,3,4,6,7,12,12b-octahydro-4-oxo-, (1S,12bS)- [ACD/Index 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: 848.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 467.1±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 156.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.58
ACD/KOC (pH 5.5): 493.01
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.58
ACD/KOC (pH 7.4): 493.01
Polar Surface Area: 106 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 434.2±5.0 cm3

Click to predict properties on the Chemicalize site


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