ChemSpider 2D Image | Gefapixant | C14H19N5O4S

Gefapixant

  • Molecular FormulaC14H19N5O4S
  • Average mass353.397 Da
  • Monoisotopic mass353.115784 Da
  • ChemSpider ID58828660

More details:






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

1015787-98-0 [RN]
10642
5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzenesulfonamide [ACD/IUPAC Name]
5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
5-[(2,4-Diamino-5-pyrimidinyl)oxy]-4-isopropyl-2-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]
AF-219
Benzenesulfonamide, 5-[(2,4-diamino-5-pyrimidinyl)oxy]-2-methoxy-4-(1-methylethyl)- [ACD/Index Name]
gefapixant [Spanish] [INN]
Gefapixant [INN] [USAN]
géfapixant [French] [INN]
More...

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

6K6L7E3F1L [DBID]
RO4926219 [DBID]
UNII:6K6L7E3F1L [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.5±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.73
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.99
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.04
ACD/KOC (pH 7.4): 53.69
Polar Surface Area: 165 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 254.1±3.0 cm3

Click to predict properties on the Chemicalize site






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