ChemSpider 2D Image | Macitentan | C19H20Br2N6O4S

Macitentan

  • Molecular FormulaC19H20Br2N6O4S
  • Average mass588.273 Da
  • Monoisotopic mass585.963318 Da
  • ChemSpider ID13134960

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Featured data source



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

441798-33-0 [RN]
ACT-064992
Diamide N-[5-(4-bromophényl)-6-{2-[(5-bromo-2-pyrimidinyl)oxy]éthoxy}-4-pyrimidinyl]-N'-propylsulfurique [French] [ACD/IUPAC Name]
macitentan [French] [INN]
Macitentan [INN] [Wiki]
macitentán [Spanish] [INN]
macitentanum [Latin] [INN]
N-[5-(4- bromophenyl)-6-(2-(5-bromopyrimidin-2-yloxy)ethoxy)- pyrimidin-4-yl]-N-propylaminosulfonamide
N-[5-(4-Bromophenyl)-6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-4-pyrimidinyl]-N'-propylsulfuric diamide [ACD/IUPAC Name]
N-[5-(4-Bromphenyl)-6-{2-[(5-brom-2-pyrimidinyl)oxy]ethoxy}-4-pyrimidinyl]-N'-propylschwefeldiamid [German] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 692.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.5±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 97.60
ACD/KOC (pH 5.5): 524.87
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 8.44
ACD/KOC (pH 7.4): 45.40
Polar Surface Area: 137 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 351.2±3.0 cm3

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