ChemSpider 2D Image | 3-[(1S,3R,12bS)-12b-Ethyl-1-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-3-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-yl]-N,N-dimethylpropanamide | C38H50N6O7

3-[(1S,3R,12bS)-12b-Ethyl-1-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-3-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-yl]-N,N-dimethylpropanamide

  • Molecular FormulaC38H50N6O7
  • Average mass702.840 Da
  • Monoisotopic mass702.374084 Da
  • ChemSpider ID26394444

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-[(1S,3R,12bS)-12b-Ethyl-1-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-3-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]chinolizin-10-yl]-N,N-dimethylpropanamid [German] [ACD/IUPAC Name]
3-[(1S,3R,12bS)-12b-Ethyl-1-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-3-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-yl]-N,N-dimethylpropanamide [ACD/IUPAC Name]
3-[(1S,3R,12bS)-12b-Éthyl-1-{[4-(2-furoyl)-1-pipérazinyl]carbonyl}-3-{2-[(3-méthoxypropyl)amino]-2-oxoéthyl}-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-yl]-N,N-diméthylpropanamide [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine-10-propanamide, 12b-ethyl-1-[[4-(2-furanylcarbonyl)-1-piperazinyl]carbonyl]-1,2,3,4,6,7,12,12b-octahydro-3-[2-[(3-methoxypropyl)amino]-2-oxoethyl]-N,N-dimethyl-4-oxo-, (1S,3R, 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: 960.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.0±3.0 kJ/mol
Flash Point: 534.7±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 191.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.82
ACD/KOC (pH 5.5): 107.35
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.82
ACD/KOC (pH 7.4): 107.35
Polar Surface Area: 149 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 532.9±5.0 cm3

Click to predict properties on the Chemicalize site


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