ChemSpider 2D Image | Macitentan | C19H20Br2N6O4S


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

More details:

Featured data source

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

441798-33-0 [RN]
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]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Macitentan(ACT064992) is an orally active, non-peptide dual endothelin ETA and ETB receptor antagonist for the potential treatment of idiopathic pulmonary fibrosis (IPF) and pulmonary arterial hyperte nsion (PAH). MedChem Express

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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