ChemSpider 2D Image | (4R)-4-(3-Ethoxy-4-hydroxyphenyl)-3-(2-hydroxyphenyl)-5-(4-pyridinylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C25H22N4O4

(4R)-4-(3-Ethoxy-4-hydroxyphenyl)-3-(2-hydroxyphenyl)-5-(4-pyridinylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC25H22N4O4
  • Average mass442.467 Da
  • Monoisotopic mass442.164093 Da
  • ChemSpider ID62470313

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-(3-Ethoxy-4-hydroxyphenyl)-3-(2-hydroxyphenyl)-5-(4-pyridinylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
(4R)-4-(3-Ethoxy-4-hydroxyphenyl)-3-(2-hydroxyphenyl)-5-(4-pyridinylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
(4R)-4-(3-Éthoxy-4-hydroxyphényl)-3-(2-hydroxyphényl)-5-(4-pyridinylméthyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
(4R)-4-(3-Ethoxy-4-hydroxyphenyl)-3-(2-hydroxyphenyl)-5-(4-pyridinylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-on [German] [ACD/IUPAC Name]
(4R)-4-(3-Ethoxy-4-hydroxyphenyl)-3-(2-hydroxyphenyl)-5-(4-pyridinylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one [ACD/IUPAC Name]
(4R)-4-(3-Éthoxy-4-hydroxyphényl)-3-(2-hydroxyphényl)-5-(4-pyridinylméthyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 4-(3-ethoxy-4-hydroxyphenyl)-4,5-dihydro-3-(2-hydroxyphenyl)-5-(4-pyridinylmethyl)-, (4R)- [ACD/Index Name]
Pyrrolo[3,4-c]pyrazol-6(2H)-one, 4-(3-ethoxy-4-hydroxyphenyl)-4,5-dihydro-3-(2-hydroxyphenyl)-5-(4-pyridinylmethyl)-, (4R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 736.5±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: 399.2±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 20.19
ACD/KOC (pH 5.5): 282.08
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.29
ACD/KOC (pH 7.4): 339.41
Polar Surface Area: 112 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 316.0±3.0 cm3

Click to predict properties on the Chemicalize site


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