ChemSpider 2D Image | 4-[4-(Allyloxy)-3-ethoxyphenyl]-3-(5-chloro-2-hydroxyphenyl)-5-(3-isopropoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C28H32ClN3O5

4-[4-(Allyloxy)-3-ethoxyphenyl]-3-(5-chloro-2-hydroxyphenyl)-5-(3-isopropoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC28H32ClN3O5
  • Average mass526.024 Da
  • Monoisotopic mass525.203064 Da
  • ChemSpider ID11978879

More details:

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

4-[4-(Allyloxy)-3-ethoxyphenyl]-3-(5-chlor-2-hydroxyphenyl)-5-(3-isopropoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
4-[4-(Allyloxy)-3-ethoxyphenyl]-3-(5-chloro-2-hydroxyphenyl)-5-(3-isopropoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
4-[4-(Allyloxy)-3-éthoxyphényl]-3-(5-chloro-2-hydroxyphényl)-5-(3-isopropoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(5-chloro-2-hydroxyphenyl)-4-[3-ethoxy-4-(2-propen-1-yloxy)phenyl]-4,5-dihydro-5-[3-(1-methylethoxy)propyl]- [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: 697.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 375.5±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1110.97
ACD/KOC (pH 5.5): 5262.76
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 843.26
ACD/KOC (pH 7.4): 3994.60
Polar Surface Area: 97 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 420.4±3.0 cm3

Click to predict properties on the Chemicalize site


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