ChemSpider 2D Image | 2-(5-{(2S)-2-Amino-3-[3-(trifluoromethyl)phenyl]propoxy}-3-pyridinyl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine | C29H26F3N5O3

2-(5-{(2S)-2-Amino-3-[3-(trifluoromethyl)phenyl]propoxy}-3-pyridinyl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine

  • Molecular FormulaC29H26F3N5O3
  • Average mass549.544 Da
  • Monoisotopic mass549.198792 Da
  • ChemSpider ID24671633

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(5-{(2S)-2-Amino-3-[3-(trifluormethyl)phenyl]propoxy}-3-pyridinyl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amin [German] [ACD/IUPAC Name]
2-(5-{(2S)-2-Amino-3-[3-(trifluoromethyl)phenyl]propoxy}-3-pyridinyl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine [ACD/IUPAC Name]
2-(5-{(2S)-2-Amino-3-[3-(trifluorométhyl)phényl]propoxy}-3-pyridinyl)-8,9-diméthoxybenzo[c][2,7]naphtyridin-4-amine [French] [ACD/IUPAC Name]
Benzo[c][2,7]naphthyridin-4-amine, 2-[5-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-3-pyridinyl]-8,9-dimethoxy- [ACD/Index Name]
2-[5-({(2S)-2-Amino-3-[3-(trifluoromethyl)phenyl]propyl}oxy)pyridin-3-yl]-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.0±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 11.49
ACD/KOC (pH 5.5): 79.19
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 230.30
ACD/KOC (pH 7.4): 1586.50
Polar Surface Area: 118 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 408.2±3.0 cm3

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