ChemSpider 2D Image | 4-[(1R,3aS,10aR,10bS)-2-Benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(3-pyridinylmethyl)butanamide | C28H38N4O

4-[(1R,3aS,10aR,10bS)-2-Benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(3-pyridinylmethyl)butanamide

  • Molecular FormulaC28H38N4O
  • Average mass446.628 Da
  • Monoisotopic mass446.304565 Da
  • ChemSpider ID65152851

  • 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, decahydro-2-(phenylmethyl)-N-(3-pyridinylmethyl)-, (1R,3aS,10aR,10bS)- [ACD/Index Name]
4-[(1R,3aS,10aR,10bS)-2-Benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(3-pyridinylmethyl)butanamid [German] [ACD/IUPAC Name]
4-[(1R,3aS,10aR,10bS)-2-Benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(3-pyridinylmethyl)butanamide [ACD/IUPAC Name]
4-[(1R,3aS,10aR,10bS)-2-Benzyldécahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphtyridin-1-yl]-N-(3-pyridinylméthyl)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: 638.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.1±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 8.54
Polar Surface Area: 48 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 382.8±5.0 cm3

Click to predict properties on the Chemicalize site


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