ChemSpider 2D Image | Macitentan-d4 | C19H16D4Br2N6O4S

Macitentan-d4

  • Molecular FormulaC19H16D4Br2N6O4S
  • Average mass592.297 Da
  • Monoisotopic mass589.988464 Da
  • ChemSpider ID48062831

  • Non-standard isotope - Non-standard isotope

More details:

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

1258428-05-5 [RN]
Diamide N-[5-(4-bromophényl)-6-({2-[(5-bromo-2-pyrimidinyl)oxy](2H4)éthyl}oxy)-4-pyrimidinyl]-N'-propylsulfurique [French] [ACD/IUPAC Name]
Macitentan-d4
N-[5-(4-Bromophenyl)-6-({2-[(5-bromo-2-pyrimidinyl)oxy](2H4)ethyl}oxy)-4-pyrimidinyl]-N'-propylsulfuric diamide [ACD/IUPAC Name]
N-[5-(4-Bromphenyl)-6-({2-[(5-brom-2-pyrimidinyl)oxy](2H4)ethyl}oxy)-4-pyrimidinyl]-N'-propylschwefeldiamid [German] [ACD/IUPAC Name]
Sulfamide, N-[5-(4-bromophenyl)-6-[[2-[(5-bromo-2-pyrimidinyl)oxy]ethyl-1,1,2,2-d4]oxy]-4-pyrimidinyl]-N'-propyl- [ACD/Index Name]
5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
Macitentan D4

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

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

Click to predict properties on the Chemicalize site


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