ChemSpider 2D Image | (3-{[1-(4-Methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetonitrile | C22H16N4O3

(3-{[1-(4-Methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetonitrile

  • Molecular FormulaC22H16N4O3
  • Average mass384.387 Da
  • Monoisotopic mass384.122253 Da
  • ChemSpider ID35405796

More details:

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

(3-{[1-(4-Methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}-1H-indol-1-yl)acetonitril [German] [ACD/IUPAC Name]
(3-{[1-(4-Methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-1H-indol-1-yl)acetonitrile [ACD/IUPAC Name]
(3-{[1-(4-Méthylphényl)-2,4,6-trioxotétrahydro-5(2H)-pyrimidinylidène]méthyl}-1H-indol-1-yl)acétonitrile [French] [ACD/IUPAC Name]
1H-Indole-1-acetonitrile, 3-[[tetrahydro-1-(4-methylphenyl)-2,4,6-trioxo-5(2H)-pyrimidinylidene]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 109.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.15
ACD/KOC (pH 5.5): 359.12
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 16.07
ACD/KOC (pH 7.4): 220.63
Polar Surface Area: 95 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 286.5±7.0 cm3

Click to predict properties on the Chemicalize site


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