ChemSpider 2D Image | ETRAVIRINE-D6 | C20H9D6BrN6O

ETRAVIRINE-D6

  • Molecular FormulaC20H9D6BrN6O
  • Average mass441.314 Da
  • Monoisotopic mass440.086731 Da
  • ChemSpider ID57579667

  • Non-standard isotope - Non-standard isotope

More details:

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

1142096-06-7 [RN]
4-({6-Amino-5-brom-2-[(4-cyanphenyl)amino]-4-pyrimidinyl}oxy)-3,5-bis[(2H3)methyl]benzonitril [German] [ACD/IUPAC Name]
4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-bis[(2H3)methyl]benzonitrile [ACD/IUPAC Name]
4-({6-Amino-5-bromo-2-[(4-cyanophényl)amino]-4-pyrimidinyl}oxy)-3,5-bis[(2H3)méthyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-di(methyl-d3)- [ACD/Index Name]
ETRAVIRINE-D6
Etravirine-d8

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

Density: 1.6±0.1 g/cm3
Boiling Point: 637.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.3±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 709.61
ACD/KOC (pH 5.5): 3822.57
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 709.65
ACD/KOC (pH 7.4): 3822.77
Polar Surface Area: 121 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 86.2±5.0 dyne/cm
Molar Volume: 275.7±5.0 cm3

Click to predict properties on the Chemicalize site


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