ChemSpider 2D Image | 5-[5-Ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide | C20H21N5O3S

5-[5-Ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide

  • Molecular FormulaC20H21N5O3S
  • Average mass411.477 Da
  • Monoisotopic mass411.136505 Da
  • ChemSpider ID30812485

More details:






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

5-[5-Ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide [ACD/IUPAC Name]
5-[5-Éthoxy-6-(1-méthyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
5-[5-Ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methyl- [ACD/Index Name]
10.1021/jm4000215
1O5

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

Density: 1.4±0.1 g/cm3
Boiling Point: 697.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.5±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.80
ACD/KOC (pH 5.5): 627.13
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.59
ACD/KOC (pH 7.4): 624.84
Polar Surface Area: 124 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 286.2±7.0 cm3

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