ChemSpider 2D Image | (4R)-3-(4-Chlorophenyl)-5-[2-(1H-indol-3-yl)ethyl]-4-(3-pyridinyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C26H20ClN5O

(4R)-3-(4-Chlorophenyl)-5-[2-(1H-indol-3-yl)ethyl]-4-(3-pyridinyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC26H20ClN5O
  • Average mass453.923 Da
  • Monoisotopic mass453.135651 Da
  • ChemSpider ID129293365

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-3-(4-Chlorophenyl)-5-[2-(1H-indol-3-yl)ethyl]-4-(3-pyridinyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
(4R)-3-(4-Chlorophényl)-5-[2-(1H-indol-3-yl)éthyl]-4-(3-pyridinyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
(4R)-3-(4-Chlorphenyl)-5-[2-(1H-indol-3-yl)ethyl]-4-(3-pyridinyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(4-chlorophenyl)-4,5-dihydro-5-[2-(1H-indol-3-yl)ethyl]-4-(3-pyridinyl)-, (4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 758.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.3±32.9 °C
Index of Refraction: 1.724
Molar Refractivity: 128.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 660.91
ACD/KOC (pH 5.5): 3581.92
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 694.15
ACD/KOC (pH 7.4): 3762.08
Polar Surface Area: 78 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 323.0±3.0 cm3

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