ChemSpider 2D Image | 5-(4-Chlorophenyl)-1-methyl-3-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridine | C22H18ClN3S

5-(4-Chlorophenyl)-1-methyl-3-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridine

  • Molecular FormulaC22H18ClN3S
  • Average mass391.916 Da
  • Monoisotopic mass391.091003 Da
  • ChemSpider ID30656996

More details:

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

5-(4-Chlorophenyl)-1-methyl-3-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridine [ACD/IUPAC Name]
5-(4-Chlorophényl)-1-méthyl-3-phényl-3,6,8,9-tétrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridine [French] [ACD/IUPAC Name]
5-(4-Chlorphenyl)-1-methyl-3-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin [German] [ACD/IUPAC Name]
Pyrazolo[3,4-b]thiopyrano[4,3-d]pyridine, 5-(4-chlorophenyl)-3,6,8,9-tetrahydro-1-methyl-3-phenyl- [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: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.7±30.1 °C
Index of Refraction: 1.720
Molar Refractivity: 113.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14282.04
ACD/KOC (pH 5.5): 32717.21
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14374.93
ACD/KOC (pH 7.4): 32929.98
Polar Surface Area: 56 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 287.2±7.0 cm3

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