ChemSpider 2D Image | Avagacestat | C20H17ClF4N4O4S

Avagacestat

  • Molecular FormulaC20H17ClF4N4O4S
  • Average mass520.885 Da
  • Monoisotopic mass520.059509 Da
  • ChemSpider ID26544693

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

Avagacestat [INN] [USAN]
N2-[(4-Chlorophenyl)sulfonyl]-5,5,5-trifluoro-N2-[2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl]norvalinamide [ACD/IUPAC Name]
N2-[(4-Chlorophényl)sulfonyl]-5,5,5-trifluoro-N2-[2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl]norvalinamide [French] [ACD/IUPAC Name]
N2-[(4-Chlorphenyl)sulfonyl]-5,5,5-trifluor-N2-[2-fluor-4-(1,2,4-oxadiazol-3-yl)benzyl]norvalinamid [German] [ACD/IUPAC Name]
Pentanamide, 2-[[(4-chlorophenyl)sulfonyl][[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoro- [ACD/Index Name]
(2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-trifluoropentanamide
(R)-2-(4-chloro-N-(2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl)phenylsulfonamido)-5,5,5-trifluoropentanamide
1146699-66-2 [RN]
2-((4-chloro-N-(2-fluoro-4-(1,2,4-oxadiazol-3-yl)benzyl)phenyl)sulfonamido)-5,5,5-trifluoropentanamide
5,5,5-TRIFLUORO-2-(N-{[2-FLUORO-4-(1,2,4-OXADIAZOL-3-YL)PHENYL]METHYL}4-CHLOROBENZENESULFONAMIDO)PENTANAMIDE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BMS-708163 [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: 652.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.3±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 113.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.49
ACD/KOC (pH 5.5): 1725.09
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 233.49
ACD/KOC (pH 7.4): 1725.10
Polar Surface Area: 128 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 350.0±3.0 cm3

Click to predict properties on the Chemicalize site


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