ChemSpider 2D Image | fonadelpar | C25H23F3N2O4S

fonadelpar

  • Molecular FormulaC25H23F3N2O4S
  • Average mass504.521 Da
  • Monoisotopic mass504.133057 Da
  • ChemSpider ID8003203

More details:

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

{[3-(2-{4-Isopropyl-2-[4-(trifluormethyl)phenyl]-1,3-thiazol-5-yl}ethyl)-5-methyl-1,2-benzoxazol-6-yl]oxy}essigsäure [German] [ACD/IUPAC Name]
{[3-(2-{4-Isopropyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethyl)-5-methyl-1,2-benzoxazol-6-yl]oxy}acetic acid [ACD/IUPAC Name]
515138-06-4 [RN]
Acetic acid, 2-[[5-methyl-3-[2-[4-(1-methylethyl)-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]ethyl]-1,2-benzisoxazol-6-yl]oxy]- [ACD/Index Name]
Acide {[3-(2-{4-isopropyl-2-[4-(trifluorométhyl)phényl]-1,3-thiazol-5-yl}éthyl)-5-méthyl-1,2-benzoxazol-6-yl]oxy}acétique [French] [ACD/IUPAC Name]
FK5ZAD810Z
fonadelpar [INN] [USAN]
fonadelpar [French] [INN]
fonadelpar [Spanish] [INN]
fonadelparum [Latin] [INN]
More...

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

10105 [DBID]
NPS-005 [DBID]
SJP-0035 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 607.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.3±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 126.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 40.29
ACD/KOC (pH 5.5): 84.72
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 3.92
ACD/KOC (pH 7.4): 8.24
Polar Surface Area: 114 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 376.1±3.0 cm3

Click to predict properties on the Chemicalize site


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