ChemSpider 2D Image | 1-(4-Phenyl-1-piperazinyl)-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-butanone | C31H41N5O2

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

  • Molecular FormulaC31H41N5O2
  • Average mass515.690 Da
  • Monoisotopic mass515.326050 Da
  • ChemSpider ID65153089

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(4-Phenyl-1-piperazinyl)-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-butanon [German] [ACD/IUPAC Name]
1-(4-Phenyl-1-piperazinyl)-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-butanone [ACD/IUPAC Name]
1-(4-Phényl-1-pipérazinyl)-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)décahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphtyridin-1-yl]-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 4-[(1R,3aS,10aR,10bS)-decahydro-2-(3-pyridinylcarbonyl)-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(4-phenyl-1-piperazinyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 715.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.5±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.62
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 3.33
ACD/KOC (pH 7.4): 24.76
Polar Surface Area: 60 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 414.1±5.0 cm3

Click to predict properties on the Chemicalize site


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