ChemSpider 2D Image | Cort 108297 | C26H25F4N3O3S

Cort 108297

  • Molecular FormulaC26H25F4N3O3S
  • Average mass535.554 Da
  • Monoisotopic mass535.155273 Da
  • ChemSpider ID23322313
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4aR)-4a-(Éthoxyméthyl)-1-(4-fluorophényl)-6-{[4-(trifluorométhyl)phényl]sulfonyl}-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinoléine [French] [ACD/IUPAC Name]
(4aR)-4a-(Ethoxymethyl)-1-(4-fluorophenyl)-6-{[4-(trifluoromethyl)phenyl]sulfonyl}-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinoline [ACD/IUPAC Name]
(4aR)-4a-(Ethoxymethyl)-1-(4-fluorphenyl)-6-{[4-(trifluormethyl)phenyl]sulfonyl}-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isochinolin [German] [ACD/IUPAC Name]
1018679-79-2 [RN]
1H-Pyrazolo[3,4-g]isoquinoline, 4a-(ethoxymethyl)-1-(4-fluorophenyl)-4,4a,5,6,7,8-hexahydro-6-[[4-(trifluoromethyl)phenyl]sulfonyl]-, (4aR)- [ACD/Index Name]
Cort 108297
(4aR)-4a-(ethoxymethyl)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
(R)-4A-(ethoxymethyl)-1-(4-fluorophenyl)-6-((4-(trifluoromethyl)phenyl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinoline
(R)-4a-(ethoxymethyl)-1-(4-fluorophenyl)-6-(4-(trifluoromethyl)phenylsulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinoline
Cort108297
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A17W0640NB [DBID]
UNII:A17W0640NB [DBID]
UNII-A17W0640NB [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 610.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.8±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 6004.38
ACD/KOC (pH 5.5): 17628.58
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 6004.48
ACD/KOC (pH 7.4): 17628.87
Polar Surface Area: 73 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 382.5±7.0 cm3

Click to predict properties on the Chemicalize site






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