ChemSpider 2D Image | Methyl 5-({[1-(4-chlorobenzyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}amino)-2,4-difluorobenzoate | C22H16ClF2N3O3S

Methyl 5-({[1-(4-chlorobenzyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}amino)-2,4-difluorobenzoate

  • Molecular FormulaC22H16ClF2N3O3S
  • Average mass475.896 Da
  • Monoisotopic mass475.056885 Da
  • ChemSpider ID21893668

More details:

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

5-({[1-(4-Chlorobenzyl)-3-méthyl-1H-thiéno[2,3-c]pyrazol-5-yl]carbonyl}amino)-2,4-difluorobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[[1-[(4-chlorophenyl)methyl]-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl]amino]-2,4-difluoro-, methyl ester [ACD/Index Name]
Methyl 5-({[1-(4-chlorobenzyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}amino)-2,4-difluorobenzoate [ACD/IUPAC Name]
Methyl-5-({[1-(4-chlorbenzyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}amino)-2,4-difluorbenzoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 553.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.3±30.1 °C
Index of Refraction: 1.660
Molar Refractivity: 118.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8502.28
ACD/KOC (pH 5.5): 22612.16
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8477.29
ACD/KOC (pH 7.4): 22545.69
Polar Surface Area: 101 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 321.5±7.0 cm3

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