ChemSpider 2D Image | fezolinetant | C16H15FN6OS

fezolinetant

  • Molecular FormulaC16H15FN6OS
  • Average mass358.393 Da
  • Monoisotopic mass358.101196 Da
  • ChemSpider ID58828046
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4-Fluorophenyl)[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone [ACD/IUPAC Name]
(4-Fluorophényl)[(8R)-8-méthyl-3-(3-méthyl-1,2,4-thiadiazol-5-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]méthanone [French] [ACD/IUPAC Name]
(4-Fluorphenyl)[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanon [German] [ACD/IUPAC Name]
10205
1629229-37-3 [RN]
83VNE45KXX
fezolinetant [INN]
fezolinetant [Spanish] [INN]
fézolinétant [French] [INN]
fezolinetantum [Latin] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 623.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.5±34.3 °C
Index of Refraction: 1.760
Molar Refractivity: 94.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.26
ACD/KOC (pH 5.5): 114.24
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.26
ACD/KOC (pH 7.4): 114.24
Polar Surface Area: 105 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 229.5±7.0 cm3

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