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

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

  • Molecular FormulaC30H47N5O2
  • Average mass509.727 Da
  • Monoisotopic mass509.372986 Da
  • ChemSpider ID65004488

  • 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-methyl-N-[[4-(4-methyl-1-piperazinyl)phenyl]methyl]-, (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-methyl-N-[4-(4-methyl-1-piperazinyl)benzyl]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-methyl-N-[4-(4-methyl-1-piperazinyl)benzyl]butanamide [ACD/IUPAC Name]
4-[(1R,3aS,10aR,10bS)-2-Acétyldécahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphtyridin-1-yl]-N-méthyl-N-[4-(4-méthyl-1-pipérazinyl)benzyl]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: 688.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 281.8±23.9 °C
Index of Refraction: 1.606
Molar Refractivity: 149.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.57
Polar Surface Area: 50 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 433.0±5.0 cm3

Click to predict properties on the Chemicalize site


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