ChemSpider 2D Image | relacorilant | C27H22F4N6O3S

relacorilant

  • Molecular FormulaC27H22F4N6O3S
  • Average mass586.561 Da
  • Monoisotopic mass586.140991 Da
  • ChemSpider ID57617720

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(4aR)-1-(4-Fluorophenyl)-1,4,5,6,7,8-hexahydro-6-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-4aH-pyrazolo[3,4-g]isoquinolin-4a-yl][4-(trifluoromethyl)-2-pyridinyl]methanone
{(4aR)-1-(4-Fluorophényl)-6-[(1-méthyl-1H-pyrazol-4-yl)sulfonyl]-1,4,5,6,7,8-hexahydro-4aH-pyrazolo[3,4-g]isoquinoléin-4a-yl}[4-(trifluorométhyl)-2-pyridinyl]méthanone [French] [ACD/IUPAC Name]
{(4aR)-1-(4-Fluorophenyl)-6-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1,4,5,6,7,8-hexahydro-4aH-pyrazolo[3,4-g]isoquinolin-4a-yl}[4-(trifluoromethyl)-2-pyridinyl]methanone [ACD/IUPAC Name]
{(4aR)-1-(4-Fluorphenyl)-6-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1,4,5,6,7,8-hexahydro-4aH-pyrazolo[3,4-g]isochinolin-4a-yl}[4-(trifluormethyl)-2-pyridinyl]methanon [German] [ACD/IUPAC Name]
1496510-51-0 [RN]
2-[(4aR)-1-(4-fluorophenyl)-6-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1H,4H,4aH,5H,6H,7H,8H-pyrido[3,4-f]indazole-4a-carbonyl]-4-(trifluoromethyl)pyridine
2158753C7E
Methanone, [(4aR)-1-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-6-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-4aH-pyrazolo[3,4-g]isoquinolin-4a-yl][4-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
relacorilant [INN]
relacorilant [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10465 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 715.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.7±35.7 °C
Index of Refraction: 1.679
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 602.90
ACD/KOC (pH 5.5): 3401.72
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 602.90
ACD/KOC (pH 7.4): 3401.76
Polar Surface Area: 111 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 380.9±7.0 cm3

Click to predict properties on the Chemicalize site


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