ChemSpider 2D Image | (6aS)-3,6a-Bis(4-chlorophenyl)-6,6-dimethyl-4-phenyl-6,6a-dihydropyrrolo[3,2-c]pyrazol-5(4H)-one | C25H19Cl2N3O

(6aS)-3,6a-Bis(4-chlorophenyl)-6,6-dimethyl-4-phenyl-6,6a-dihydropyrrolo[3,2-c]pyrazol-5(4H)-one

  • Molecular FormulaC25H19Cl2N3O
  • Average mass448.344 Da
  • Monoisotopic mass447.090515 Da
  • ChemSpider ID30659386

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6aS)-3,6a-Bis(4-chlorophenyl)-6,6-dimethyl-4-phenyl-6,6a-dihydropyrrolo[3,2-c]pyrazol-5(4H)-one [ACD/IUPAC Name]
(6aS)-3,6a-Bis(4-chlorophényl)-6,6-diméthyl-4-phényl-6,6a-dihydropyrrolo[3,2-c]pyrazol-5(4H)-one [French] [ACD/IUPAC Name]
(6aS)-3,6a-Bis(4-chlorphenyl)-6,6-dimethyl-4-phenyl-6,6a-dihydropyrrolo[3,2-c]pyrazol-5(4H)-on [German] [ACD/IUPAC Name]
Pyrrolo[3,2-c]pyrazol-5(4H)-one, 3,6a-bis(4-chlorophenyl)-6,6a-dihydro-6,6-dimethyl-4-phenyl-, (6aS)- [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: 578.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.4±30.1 °C
Index of Refraction: 1.669
Molar Refractivity: 125.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 73758.59
ACD/KOC (pH 5.5): 106159.88
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 73758.59
ACD/KOC (pH 7.4): 106159.88
Polar Surface Area: 45 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 337.3±7.0 cm3

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