ChemSpider 2D Image | 4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino](4,5,6-~13~C_3_)-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitrile | C1713C3H15BrN6O

4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino](4,5,6-13C3)-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitrile

  • Molecular FormulaC1713C3H15BrN6O
  • Average mass438.255 Da
  • Monoisotopic mass437.059143 Da
  • ChemSpider ID28561023

  • 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-cyanphenyl)amino](4,5,6-13C3)-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitril [German] [ACD/IUPAC Name]
4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino](4,5,6-13C3)-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitrile [ACD/IUPAC Name]
4-({6-Amino-5-bromo-2-[(4-cyanophényl)amino](4,5,6-13C3)-4-pyrimidinyl}oxy)-3,5-diméthylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl-4,5,6-13C3]oxy]-3,5-dimethyl- [ACD/Index Name]
1189671-48-4 [RN]
4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
4-{[6-Amino-5-bromo-2-(4-cyanoanilino)(4,5,6-13C3)pyrimidin-4-yl]oxy}-3,5-dimethylbenzonitrile
ETRAVIRINE-13C3

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.703
    Molar Refractivity: 106.9±0.4 cm3
    #H bond acceptors:
    #H bond donors:
    #Freely Rotating Bonds:
    #Rule of 5 Violations:
    ACD/LogP:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area:
    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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