ChemSpider 2D Image | epacadostat | C11H13BrFN7O4S

epacadostat

  • Molecular FormulaC11H13BrFN7O4S
  • Average mass438.233 Da
  • Monoisotopic mass436.991699 Da
  • ChemSpider ID50165705

  • Double-bond stereo - Double-bond stereo

More details:

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

Diamide N-(2-{[(4E)-4-{[(3-bromo-4-fluorophényl)amino](nitroso)méthylène}-4,5-dihydro-1,2,5-oxadiazol-3-yl]amino}éthyl)sulfurique [French] [ACD/IUPAC Name]
epacadostat [INN] [USAN]
N-(2-{[(4E)-4-{[(3-Brom-4-fluorphenyl)amino](nitroso)methylen}-4,5-dihydro-1,2,5-oxadiazol-3-yl]amino}ethyl)schwefeldiamid [German] [ACD/IUPAC Name]
N-(2-{[(4E)-4-{[(3-Bromo-4-fluorophenyl)amino](nitroso)methylene}-4,5-dihydro-1,2,5-oxadiazol-3-yl]amino}ethyl)sulfuric diamide [ACD/IUPAC Name]
Sulfamide, N-[2-[[(4E)-4-[[(3-bromo-4-fluorophenyl)amino]nitrosomethylene]-4,5-dihydro-1,2,5-oxadiazol-3-yl]amino]ethyl]- [ACD/Index Name]
(3E)-3-[(3-bromo-4-fluoroanilino)-nitrosomethylidene]-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole
1204669-37-3 [RN]
1204669-58-8 [RN]
IDO inhibitor 1
INCB 24360
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point: 505.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.4±32.9 °C
Index of Refraction: 1.742
Molar Refractivity: 87.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.97
ACD/KOC (pH 5.5): 56.56
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 56.53
Polar Surface Area: 168 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 77.6±7.0 dyne/cm
Molar Volume: 217.3±7.0 cm3

Click to predict properties on the Chemicalize site


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