ChemSpider 2D Image | Sarolaner | C23H18Cl2F4N2O5S

Sarolaner

  • Molecular FormulaC23H18Cl2F4N2O5S
  • Average mass581.364 Da
  • Monoisotopic mass580.024963 Da
  • ChemSpider ID64880483

More details:

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

1-{5'-[5-(3,5-Dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-1H,3'H-spiro[azetidine-3,1'-[2]benzofuran]-1-yl}-2-(methylsulfonyl)ethanone [ACD/IUPAC Name]
Ethanone, 1-[5'-[5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]spiro[azetidine-3,1'(3'H)-isobenzofuran]-1-yl]-2-(methylsulfonyl)- [ACD/Index Name]
Sarolaner [INN] [USAN]
1398609-39-6 [RN]
D10668
DM113FTW7F
MFCD28963963
Sarolaner (USAN/INN)

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

Density: 1.7±0.1 g/cm3
Boiling Point: 722.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 390.9±35.7 °C
Index of Refraction: 1.638
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2786.70
ACD/KOC (pH 5.5): 10176.32
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2786.70
ACD/KOC (pH 7.4): 10176.32
Polar Surface Area: 94 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 351.2±7.0 cm3

Click to predict properties on the Chemicalize site


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