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Search term: QEVYREROJXBRAB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-iodobenzamide | C18H22IN3O3S

N-[1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-iodobenzamide

  • Molecular FormulaC18H22IN3O3S
  • Average mass487.355 Da
  • Monoisotopic mass487.042633 Da
  • ChemSpider ID22386113

More details:

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

Benzamide, N-[3-(1,1-dimethylethyl)-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-5-yl]-3-iodo- [ACD/Index Name]
N-[1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-iodbenzamid [German] [ACD/IUPAC Name]
N-[1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-iodobenzamide [ACD/IUPAC Name]
N-[1-(1,1-Dioxydotétrahydro-3-thiophényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-iodobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 573.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.6±30.1 °C
Index of Refraction: 1.678
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.74
ACD/KOC (pH 5.5): 1132.71
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.77
ACD/KOC (pH 7.4): 1132.99
Polar Surface Area: 89 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 294.9±7.0 cm3

Click to predict properties on the Chemicalize site


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