ChemSpider 2D Image | 3-(5-Chloro-2-hydroxy-4-methylphenyl)-4-[3-ethoxy-4-(pentyloxy)phenyl]-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C28H34ClN3O5

3-(5-Chloro-2-hydroxy-4-methylphenyl)-4-[3-ethoxy-4-(pentyloxy)phenyl]-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC28H34ClN3O5
  • Average mass528.040 Da
  • Monoisotopic mass527.218689 Da
  • ChemSpider ID11985709

More details:

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

3-(5-Chlor-2-hydroxy-4-methylphenyl)-4-[3-ethoxy-4-(pentyloxy)phenyl]-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
3-(5-Chloro-2-hydroxy-4-methylphenyl)-4-[3-ethoxy-4-(pentyloxy)phenyl]-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
3-(5-Chloro-2-hydroxy-4-méthylphényl)-4-[3-éthoxy-4-(pentyloxy)phényl]-5-(3-hydroxypropyl)-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-hydroxy-4-methylphenyl)-4-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dihydro-5-(3-hydroxypropyl)- [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: 726.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 393.0±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 142.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1933.88
ACD/KOC (pH 5.5): 7827.26
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1532.00
ACD/KOC (pH 7.4): 6200.66
Polar Surface Area: 108 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 415.9±3.0 cm3

Click to predict properties on the Chemicalize site


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