ChemSpider 2D Image | 5-[5-Chloro-1-(2-methoxyethyl)-6-oxo-1,6-dihydro-3-pyridinyl]-4-(4-chloro-2-methylphenyl)-3-isopropyl-2-(2-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one | C30H30Cl2N4O4

5-[5-Chloro-1-(2-methoxyethyl)-6-oxo-1,6-dihydro-3-pyridinyl]-4-(4-chloro-2-methylphenyl)-3-isopropyl-2-(2-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one

  • Molecular FormulaC30H30Cl2N4O4
  • Average mass581.490 Da
  • Monoisotopic mass580.164429 Da
  • ChemSpider ID58952781

More details:

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

5-[5-Chlor-1-(2-methoxyethyl)-6-oxo-1,6-dihydro-3-pyridinyl]-4-(4-chlor-2-methylphenyl)-3-isopropyl-2-(2-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-on [German] [ACD/IUPAC Name]
5-[5-Chloro-1-(2-methoxyethyl)-6-oxo-1,6-dihydro-3-pyridinyl]-4-(4-chloro-2-methylphenyl)-3-isopropyl-2-(2-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one [ACD/IUPAC Name]
5-[5-Chloro-1-(2-méthoxyéthyl)-6-oxo-1,6-dihydro-3-pyridinyl]-4-(4-chloro-2-méthylphényl)-3-isopropyl-2-(2-méthoxyphényl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(2H)-one, 5-[5-chloro-1,6-dihydro-1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-(4-chloro-2-methylphenyl)-4,5-dihydro-2-(2-methoxyphenyl)-3-(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: 694.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.0±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 155.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1229.05
ACD/KOC (pH 5.5): 5663.87
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1229.05
ACD/KOC (pH 7.4): 5663.87
Polar Surface Area: 77 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 431.0±7.0 cm3

Click to predict properties on the Chemicalize site


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