ChemSpider 2D Image | 6-(4-Chlorophenyl)-2-[2-(dimethylamino)-4-methoxy-5-pyrimidinyl]-5-(1,4-dimethyl-6-oxo-1,6-dihydro-3-pyridinyl)-1-isopropyl-5,6-dihydropyrrolo[3,4-b]pyrrol-4(1H)-one | C29H31ClN6O3

6-(4-Chlorophenyl)-2-[2-(dimethylamino)-4-methoxy-5-pyrimidinyl]-5-(1,4-dimethyl-6-oxo-1,6-dihydro-3-pyridinyl)-1-isopropyl-5,6-dihydropyrrolo[3,4-b]pyrrol-4(1H)-one

  • Molecular FormulaC29H31ClN6O3
  • Average mass547.048 Da
  • Monoisotopic mass546.214600 Da
  • ChemSpider ID76733826

More details:

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

6-(4-Chlorophenyl)-2-[2-(dimethylamino)-4-methoxy-5-pyrimidinyl]-5-(1,4-dimethyl-6-oxo-1,6-dihydro-3-pyridinyl)-1-isopropyl-5,6-dihydropyrrolo[3,4-b]pyrrol-4(1H)-one [ACD/IUPAC Name]
6-(4-Chlorophényl)-2-[2-(diméthylamino)-4-méthoxy-5-pyrimidinyl]-5-(1,4-diméthyl-6-oxo-1,6-dihydro-3-pyridinyl)-1-isopropyl-5,6-dihydropyrrolo[3,4-b]pyrrol-4(1H)-one [French] [ACD/IUPAC Name]
6-(4-Chlorphenyl)-2-[2-(dimethylamino)-4-methoxy-5-pyrimidinyl]-5-(1,4-dimethyl-6-oxo-1,6-dihydro-3-pyridinyl)-1-isopropyl-5,6-dihydropyrrolo[3,4-b]pyrrol-4(1H)-on [German] [ACD/IUPAC Name]
Pyrrolo[3,4-b]pyrrol-4(1H)-one, 6-(4-chlorophenyl)-5-(1,6-dihydro-1,4-dimethyl-6-oxo-3-pyridinyl)-2-[2-(dimethylamino)-4-methoxy-5-pyrimidinyl]-5,6-dihydro-1-(1-methylethyl)- [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: 699.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 377.0±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 151.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 203.18
ACD/KOC (pH 5.5): 1171.24
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 547.02
ACD/KOC (pH 7.4): 3153.26
Polar Surface Area: 84 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 413.0±7.0 cm3

Click to predict properties on the Chemicalize site


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