ChemSpider 2D Image | 4-[(1R,3aS,10aR,10bS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(4-phenyl-1-piperazinyl)propyl]butanamide | C30H47N5O2

4-[(1R,3aS,10aR,10bS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(4-phenyl-1-piperazinyl)propyl]butanamide

  • Molecular FormulaC30H47N5O2
  • Average mass509.727 Da
  • Monoisotopic mass509.372986 Da
  • ChemSpider ID65152981

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H,4H-Pyrido[3,2,1-ij][1,6]naphthyridine-1-butanamide, 2-acetyldecahydro-N-[3-(4-phenyl-1-piperazinyl)propyl]-, (1R,3aS,10aR,10bS)- [ACD/Index Name]
4-[(1R,3aS,10aR,10bS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(4-phenyl-1-piperazinyl)propyl]butanamid [German] [ACD/IUPAC Name]
4-[(1R,3aS,10aR,10bS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(4-phenyl-1-piperazinyl)propyl]butanamide [ACD/IUPAC Name]
4-[(1R,3aS,10aR,10bS)-2-Acétyldécahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphtyridin-1-yl]-N-[3-(4-phényl-1-pipérazinyl)propyl]butanamide [French] [ACD/IUPAC 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: 719.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.8±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 149.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.93
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 13.06
Polar Surface Area: 59 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 434.6±5.0 cm3

Click to predict properties on the Chemicalize site


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