ChemSpider 2D Image | N-{5-Fluoro-4-[4-fluoro-2-methyl-1-(2-methyl-2-propanyl)-1H-benzimidazol-6-yl]-2-pyrimidinyl}-6-[2-(methylamino)ethyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine | C27H32F2N8

N-{5-Fluoro-4-[4-fluoro-2-methyl-1-(2-methyl-2-propanyl)-1H-benzimidazol-6-yl]-2-pyrimidinyl}-6-[2-(methylamino)ethyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine

  • Molecular FormulaC27H32F2N8
  • Average mass506.593 Da
  • Monoisotopic mass506.271790 Da
  • ChemSpider ID129071014

More details:

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

1,6-Naphthyridine-6(5H)-ethanamine, 2-[[4-[1-(1,1-dimethylethyl)-4-fluoro-2-methyl-1H-benzimidazol-6-yl]-5-fluoro-2-pyrimidinyl]amino]-7,8-dihydro-N-methyl- [ACD/Index Name]
N-{5-Fluor-4-[4-fluor-2-methyl-1-(2-methyl-2-propanyl)-1H-benzimidazol-6-yl]-2-pyrimidinyl}-6-[2-(methylamino)ethyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amin [German] [ACD/IUPAC Name]
N-{5-Fluoro-4-[4-fluoro-2-methyl-1-(2-methyl-2-propanyl)-1H-benzimidazol-6-yl]-2-pyrimidinyl}-6-[2-(methylamino)ethyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine [ACD/IUPAC Name]
N-{5-Fluoro-4-[4-fluoro-2-méthyl-1-(2-méthyl-2-propanyl)-1H-benzimidazol-6-yl]-2-pyrimidinyl}-6-[2-(méthylamino)éthyl]-5,6,7,8-tétrahydro-1,6-naphtyridin-2-amine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.3±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 139.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 8.22
Polar Surface Area: 84 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 380.7±7.0 cm3

Click to predict properties on the Chemicalize site


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