ChemSpider 2D Image | N-{[1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-3-iodo-N-methylbenzamide | C18H22IN3O3S

N-{[1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-3-iodo-N-methylbenzamide

  • Molecular FormulaC18H22IN3O3S
  • Average mass487.355 Da
  • Monoisotopic mass487.042633 Da
  • ChemSpider ID22426719

More details:






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

Benzamide, N-[[3,5-dimethyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]methyl]-3-iodo-N-methyl- [ACD/Index Name]
N-{[1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-3-iod-N-methylbenzamid [German] [ACD/IUPAC Name]
N-{[1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-3-iodo-N-methylbenzamide [ACD/IUPAC Name]
N-{[1-(1,1-Dioxydotétrahydro-3-thiophényl)-3,5-diméthyl-1H-pyrazol-4-yl]méthyl}-3-iodo-N-méthylbenzamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 690.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.6±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 111.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.46
ACD/KOC (pH 5.5): 235.44
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.47
ACD/KOC (pH 7.4): 235.64
Polar Surface Area: 81 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 295.6±7.0 cm3

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