ChemSpider 2D Image | 4-[(1R,3aS,10aR,10bS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-isobutyl-1-piperazinyl)-1-butanone | C25H44N4O2

4-[(1R,3aS,10aR,10bS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-isobutyl-1-piperazinyl)-1-butanone

  • Molecular FormulaC25H44N4O2
  • Average mass432.642 Da
  • Monoisotopic mass432.346436 Da
  • ChemSpider ID65150554

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Butanone, 4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-[4-(2-methylpropyl)-1-piperazinyl]- [ACD/Index Name]
4-[(1R,3aS,10aR,10bS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-isobutyl-1-piperazinyl)-1-butanon [German] [ACD/IUPAC Name]
4-[(1R,3aS,10aR,10bS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-isobutyl-1-piperazinyl)-1-butanone [ACD/IUPAC Name]
4-[(1R,3aS,10aR,10bS)-2-Acétyldécahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphtyridin-1-yl]-1-(4-isobutyl-1-pipérazinyl)-1-butanone [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 593.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 240.1±22.5 °C
Index of Refraction: 1.563
Molar Refractivity: 125.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 14.20
Polar Surface Area: 47 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 385.5±5.0 cm3

Click to predict properties on the Chemicalize site


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