ChemSpider 2D Image | 5-(5-Chloro-1-methyl-6-oxo-1,6-dihydro-3-pyridinyl)-6-(4-chlorophenyl)-2-(2,4-dimethoxy-5-pyrimidinyl)-1-isopropyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carbonitrile | C28H24Cl2N6O4

5-(5-Chloro-1-methyl-6-oxo-1,6-dihydro-3-pyridinyl)-6-(4-chlorophenyl)-2-(2,4-dimethoxy-5-pyrimidinyl)-1-isopropyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carbonitrile

  • Molecular FormulaC28H24Cl2N6O4
  • Average mass579.434 Da
  • Monoisotopic mass578.123596 Da
  • ChemSpider ID76717293

More details:

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

5-(5-Chlor-1-methyl-6-oxo-1,6-dihydro-3-pyridinyl)-6-(4-chlorphenyl)-2-(2,4-dimethoxy-5-pyrimidinyl)-1-isopropyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-carbonitril [German] [ACD/IUPAC Name]
5-(5-Chloro-1-methyl-6-oxo-1,6-dihydro-3-pyridinyl)-6-(4-chlorophenyl)-2-(2,4-dimethoxy-5-pyrimidinyl)-1-isopropyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrole-3-carbonitrile [ACD/IUPAC Name]
5-(5-Chloro-1-méthyl-6-oxo-1,6-dihydro-3-pyridinyl)-6-(4-chlorophényl)-2-(2,4-diméthoxy-5-pyrimidinyl)-1-isopropyl-4-oxo-1,4,5,6-tétrahydropyrrolo[3,4-b]pyrrole-3-carbonitrile [French] [ACD/IUPAC Name]
Pyrrolo[3,4-b]pyrrole-3-carbonitrile, 5-(5-chloro-1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-2-(2,4-dimethoxy-5-pyrimidinyl)-1,4,5,6-tetrahydro-1-(1-methylethyl)-4-oxo- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 731.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 396.1±35.7 °C
Index of Refraction: 1.681
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.28
ACD/KOC (pH 5.5): 948.76
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.30
ACD/KOC (pH 7.4): 948.89
Polar Surface Area: 114 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 400.4±7.0 cm3

Click to predict properties on the Chemicalize site


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