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

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

  • Molecular FormulaC28H32ClN3O5
  • Average mass526.024 Da
  • Monoisotopic mass525.203064 Da
  • ChemSpider ID11986529

More details:

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

4-[4-(Allyloxy)-3-methoxyphenyl]-3-(5-chlor-2-hydroxy-4-methylphenyl)-5-(3-isopropoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
4-[4-(Allyloxy)-3-methoxyphenyl]-3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-isopropoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
4-[4-(Allyloxy)-3-méthoxyphényl]-3-(5-chloro-2-hydroxy-4-méthylphényl)-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-hydroxy-4-methylphenyl)-4,5-dihydro-4-[3-methoxy-4-(2-propen-1-yloxy)phenyl]-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: 696.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 375.2±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1051.99
ACD/KOC (pH 5.5): 5062.23
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 833.73
ACD/KOC (pH 7.4): 4011.99
Polar Surface Area: 97 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 420.2±3.0 cm3

Click to predict properties on the Chemicalize site


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