ChemSpider 2D Image | exicorilant | C26H23F4N7O3S

exicorilant

  • Molecular FormulaC26H23F4N7O3S
  • Average mass589.565 Da
  • Monoisotopic mass589.151917 Da
  • ChemSpider ID75533847

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(4aR,8aS)-1-(4-Fluorophényl)-6-[(2-méthyl-2H-1,2,3-triazol-4-yl)sulfonyl]-1,4,5,6,7,8,8a,9-octahydro-4aH-pyrazolo[3,4-g]isoquinoléin-4a-yl}[4-(trifluorométhyl)-2-pyridinyl]méthanone [French] [ACD/IUPAC Name]
{(4aR,8aS)-1-(4-Fluorophenyl)-6-[(2-methyl-2H-1,2,3-triazol-4-yl)sulfonyl]-1,4,5,6,7,8,8a,9-octahydro-4aH-pyrazolo[3,4-g]isoquinolin-4a-yl}[4-(trifluoromethyl)-2-pyridinyl]methanone [ACD/IUPAC Name]
{(4aR,8aS)-1-(4-Fluorphenyl)-6-[(2-methyl-2H-1,2,3-triazol-4-yl)sulfonyl]-1,4,5,6,7,8,8a,9-octahydro-4aH-pyrazolo[3,4-g]isochinolin-4a-yl}[4-(trifluormethyl)-2-pyridinyl]methanon [German] [ACD/IUPAC Name]
1781244-77-6 [RN]
2-[(4aR,8aS)-1-(4-fluorophenyl)-6-(2-methyl-1,2,3-triazol-4-ylsulfonyl)-4H,5H,7H,8H,8aH,9H-pyrido[3,4-f]indazole-4a-carbonyl]-4-(trifluoromethyl)pyridine
2-[(4aR,8aS)-1-(4-fluorophenyl)-6-[(2-methyl-2H-1,2,3-triazol-4-yl)sulfonyl]-1H,4H,4aH,5H,6H,7H,8H,8aH,9H-pyrido[3,4-f]indazole-4a-carbonyl]-4-(trifluoromethyl)pyridine
exicorilant [INN] [USAN]
exicorilant [French] [INN]
exicorilant [Spanish] [INN]
exicorilantum [Latin] [INN]
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point: 719.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.9±35.7 °C
Index of Refraction: 1.696
Molar Refractivity: 142.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 592.47
ACD/KOC (pH 5.5): 3359.50
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 592.50
ACD/KOC (pH 7.4): 3359.63
Polar Surface Area: 124 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 369.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement