ChemSpider 2D Image | Danicopan | C26H23BrFN7O3

Danicopan

  • Molecular FormulaC26H23BrFN7O3
  • Average mass580.408 Da
  • Monoisotopic mass579.102966 Da
  • ChemSpider ID75531295

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-{[3-Acetyl-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl}-N-(6-brom-2-pyridinyl)-4-fluor-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-{[3-Acetyl-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl}-N-(6-bromo-2-pyridinyl)-4-fluoro-L-prolinamide [ACD/IUPAC Name]
(4R)-1-{2-[3-Acétyl-5-(2-méthyl-5-pyrimidinyl)-1H-indazol-1-yl]acétyl}-N-(6-bromo-2-pyridinyl)-4-fluoro-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[2-[3-acetyl-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoro-, (2S,4R)- [ACD/Index Name]
danicopan [French] [INN]
Danicopan [INN] [USAN]
danicopán [Spanish] [INN]
danicopanum [Latin] [INN]
даникопан [Russian] [INN]
دانيكوبان [Arabic] [INN]
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point: 841.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 462.8±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.02
ACD/KOC (pH 5.5): 452.67
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 36.02
ACD/KOC (pH 7.4): 452.65
Polar Surface Area: 123 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 358.6±7.0 cm3

Click to predict properties on the Chemicalize site


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