ChemSpider 2D Image | 2-[(1S,12bS)-1-{[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl}-12b-ethyl-9-methoxy-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-methyl-2-propanyl)acetamide | C33H45N5O5

2-[(1S,12bS)-1-{[4-(Cyclopropylcarbonyl)-1-piperazinyl]carbonyl}-12b-ethyl-9-methoxy-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-methyl-2-propanyl)acetamide

  • Molecular FormulaC33H45N5O5
  • Average mass591.741 Da
  • Monoisotopic mass591.342041 Da
  • ChemSpider ID34516759
  • 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-9-methoxy-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-9-methoxy-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-9-méthoxy-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-9-methoxy-4-oxo-, (1S,12bS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 868.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 479.1±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 163.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.89
ACD/KOC (pH 5.5): 306.46
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.89
ACD/KOC (pH 7.4): 306.46
Polar Surface Area: 115 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 455.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement