Found 3 results

Search term: AIWLOFZSVQLGOB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{8-Fluoro-7-[1-methyl-4-(~2~H_3_)methyl-1H-1,2,3-triazol-5-yl]-5-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-5H-pyrido[3,2-b]indol-3-yl}-2-propanol | C30H29D3FN5O2

2-{8-Fluoro-7-[1-methyl-4-(2H3)methyl-1H-1,2,3-triazol-5-yl]-5-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-5H-pyrido[3,2-b]indol-3-yl}-2-propanol

  • Molecular FormulaC30H29D3FN5O2
  • Average mass516.624 Da
  • Monoisotopic mass516.272827 Da
  • ChemSpider ID129299485

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-{8-Fluor-7-[1-methyl-4-(2H3)methyl-1H-1,2,3-triazol-5-yl]-5-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-5H-pyrido[3,2-b]indol-3-yl}-2-propanol [German] [ACD/IUPAC Name]
2-{8-Fluoro-7-[1-methyl-4-(2H3)methyl-1H-1,2,3-triazol-5-yl]-5-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-5H-pyrido[3,2-b]indol-3-yl}-2-propanol [ACD/IUPAC Name]
2-{8-Fluoro-7-[1-méthyl-4-(2H3)méthyl-1H-1,2,3-triazol-5-yl]-5-[(S)-phényl(tétrahydro-2H-pyran-4-yl)méthyl]-5H-pyrido[3,2-b]indol-3-yl}-2-propanol [French] [ACD/IUPAC Name]
5H-Pyrido[3,2-b]indole-3-methanol, 8-fluoro-α,α-dimethyl-7-[1-methyl-4-(methyl-d3)-1H-1,2,3-triazol-5-yl]-5-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]- [ACD/Index 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: 670.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.5±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 144.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1016.64
ACD/KOC (pH 5.5): 4342.57
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1593.66
ACD/KOC (pH 7.4): 6807.30
Polar Surface Area: 78 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 388.0±7.0 cm3

Click to predict properties on the Chemicalize site


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