ChemSpider 2D Image | 4-[(6-Amino-5-bromo-2-{[4-cyano(~2~H_4_)phenyl]amino}-4-pyrimidinyl)oxy]-3,5-dimethylbenzonitrile | C20H11D4BrN6O

4-[(6-Amino-5-bromo-2-{[4-cyano(2H4)phenyl]amino}-4-pyrimidinyl)oxy]-3,5-dimethylbenzonitrile

  • Molecular FormulaC20H11D4BrN6O
  • Average mass439.301 Da
  • Monoisotopic mass438.074158 Da
  • ChemSpider ID38772379

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[(6-Amino-5-brom-2-{[4-cyan(2H4)phenyl]amino}-4-pyrimidinyl)oxy]-3,5-dimethylbenzonitril [German] [ACD/IUPAC Name]
4-[(6-Amino-5-bromo-2-{[4-cyano(2H4)phenyl]amino}-4-pyrimidinyl)oxy]-3,5-dimethylbenzonitrile [ACD/IUPAC Name]
4-[(6-Amino-5-bromo-2-{[4-cyano(2H4)phényl]amino}-4-pyrimidinyl)oxy]-3,5-diméthylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl-2,3,5,6-d4)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl- [ACD/Index Name]
1142095-93-9 [RN]
4-?[[4-?amino-?5-?bromo-?6-?(4-?cyano-?2,?6-?dimethylphenoxy)?-?2-?pyrimidinyl]?amino]?-Benzonitrile-?2,?3,?5,?6-?d4
4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]-2,3,5,6-tetradeuteriobenzonitrile
Etravirine D4
Intelence D4
Intelence D4;TMC-125 D4;R-165335 D4
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: 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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