ChemSpider 2D Image | Ethyl 5-methyl-1-(4-methylphenyl)-4-{[5-(2-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl]carbonyl}-1H-pyrazole-3-carboxylate | C27H24N4O6

Ethyl 5-methyl-1-(4-methylphenyl)-4-{[5-(2-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl]carbonyl}-1H-pyrazole-3-carboxylate

  • Molecular FormulaC27H24N4O6
  • Average mass500.503 Da
  • Monoisotopic mass500.169586 Da
  • ChemSpider ID2034656

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-methyl-1-(4-methylphenyl)-4-[[3a,5,6,6a-tetrahydro-5-(2-methylphenyl)-4,6-dioxo-4H-pyrrolo[3,4-d]isoxazol-3-yl]carbonyl]-, ethyl ester [ACD/Index Name]
5-Méthyl-1-(4-méthylphényl)-4-{[5-(2-méthylphényl)-4,6-dioxo-4,5,6,6a-tétrahydro-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl]carbonyl}-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-methyl-1-(4-methylphenyl)-4-{[5-(2-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl]carbonyl}-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-methyl-1-(4-methylphenyl)-4-{[5-(2-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl]carbonyl}-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
401600-57-5 [RN]
AC1MBNPG
AGN-PC-0KKJIE
AKOS004908388
CHEMBL3103823
ethyl 4-(4,6-dioxo-5-(o-tolyl)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carbonyl)-5-methyl-1-(p-tolyl)-1H-pyrazole-3-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 751.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.0±35.7 °C
Index of Refraction: 1.680
Molar Refractivity: 133.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.56
ACD/KOC (pH 5.5): 943.94
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.56
ACD/KOC (pH 7.4): 943.94
Polar Surface Area: 120 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 353.7±7.0 cm3

Click to predict properties on the Chemicalize site


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