ChemSpider 2D Image | (8E)-3,6-Dimethyl-1-phenyl-4-(2-thienyl)-8-(2-thienylmethylene)-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,6]naphthyridine | C26H22N4S2

(8E)-3,6-Dimethyl-1-phenyl-4-(2-thienyl)-8-(2-thienylmethylene)-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,6]naphthyridine

  • Molecular FormulaC26H22N4S2
  • Average mass454.610 Da
  • Monoisotopic mass454.128601 Da
  • ChemSpider ID24742224

  • Double-bond stereo - Double-bond stereo

More details:

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

(8E)-3,6-Dimethyl-1-phenyl-4-(2-thienyl)-8-(2-thienylmethylen)-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,6]naphthyridin [German] [ACD/IUPAC Name]
(8E)-3,6-Dimethyl-1-phenyl-4-(2-thienyl)-8-(2-thienylmethylene)-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,6]naphthyridine [ACD/IUPAC Name]
(8E)-3,6-Diméthyl-1-phényl-4-(2-thiényl)-8-(2-thiénylméthylène)-5,6,7,8-tétrahydro-1H-pyrazolo[3,4-b][1,6]naphtyridine [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b][1,6]naphthyridine, 5,6,7,8-tetrahydro-3,6-dimethyl-1-phenyl-4-(2-thienyl)-8-(2-thienylmethylene)-, (8E)- [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: 614.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.3±31.5 °C
Index of Refraction: 1.740
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 4533.57
ACD/KOC (pH 5.5): 10861.19
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12021.22
ACD/KOC (pH 7.4): 28799.53
Polar Surface Area: 90 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 338.0±7.0 cm3

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