ChemSpider 2D Image | 2-{5-[(2R)-2-Amino-3-phenylpropoxy]-3-pyridinyl}-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine | C28H27N5O3

2-{5-[(2R)-2-Amino-3-phenylpropoxy]-3-pyridinyl}-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine

  • Molecular FormulaC28H27N5O3
  • Average mass481.546 Da
  • Monoisotopic mass481.211395 Da
  • ChemSpider ID24670628
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
2-{5-[(2R)-2-Amino-3-phenylpropoxy]-3-pyridinyl}-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amin [German] [ACD/IUPAC Name]
2-{5-[(2R)-2-Amino-3-phenylpropoxy]-3-pyridinyl}-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine [ACD/IUPAC Name]
2-{5-[(2R)-2-Amino-3-phénylpropoxy]-3-pyridinyl}-8,9-diméthoxybenzo[c][2,7]naphtyridin-4-amine [French] [ACD/IUPAC Name]
Benzo[c][2,7]naphthyridin-4-amine, 2-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-8,9-dimethoxy- [ACD/Index Name]
2-(5-{[(2R)-2-Amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
8I1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 745.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.3±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 142.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 2.73
ACD/KOC (pH 5.5): 25.44
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 71.52
ACD/KOC (pH 7.4): 666.75
Polar Surface Area: 118 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 374.7±3.0 cm3

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