ChemSpider 2D Image | Ethyl methyl 4,4'-[3-(4-ethoxyphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazole-4,5(1H)-diyl]dibenzoate | C30H27N3O6

Ethyl methyl 4,4'-[3-(4-ethoxyphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazole-4,5(1H)-diyl]dibenzoate

  • Molecular FormulaC30H27N3O6
  • Average mass525.552 Da
  • Monoisotopic mass525.190002 Da
  • ChemSpider ID12948020

More details:

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

4,4'-[3-(4-Éthoxyphényl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazole-4,5(1H)-diyl]dibenzoate d'éthyle et de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4,4'-[3-(4-ethoxyphenyl)-4,6-dihydro-6-oxopyrrolo[3,4-c]pyrazole-4,5(1H)-diyl]bis-, ethyl methyl ester [ACD/Index Name]
Ethyl methyl 4,4'-[3-(4-ethoxyphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazole-4,5(1H)-diyl]dibenzoate [ACD/IUPAC Name]
Ethyl-methyl-4,4'-[3-(4-ethoxyphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-4,5(1H)-diyl]dibenzoat [German] [ACD/IUPAC Name]
ethyl 4-{3-(4-ethoxyphenyl)-4-[4-(methoxycarbonyl)phenyl]-6-oxo-3-pyrrolino[3,4-d]pyrazol-5-yl}benzoate
ethyl methyl 4,4'-[3-(4-ethoxyphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazole-4,5-diyl]dibenzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.8±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 143.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3744.57
ACD/KOC (pH 5.5): 12572.85
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3744.40
ACD/KOC (pH 7.4): 12572.29
Polar Surface Area: 111 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 404.1±3.0 cm3

Click to predict properties on the Chemicalize site


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