Found 1 result

Search term: BDQDGSIDUCWNLS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [3-(4-Chlorophenyl)-1H-pyrazol-4-yl]{4-[(2,6-dichlorophenyl)sulfonyl]-1-piperazinyl}methanone | C20H17Cl3N4O3S

[3-(4-Chlorophenyl)-1H-pyrazol-4-yl]{4-[(2,6-dichlorophenyl)sulfonyl]-1-piperazinyl}methanone

  • Molecular FormulaC20H17Cl3N4O3S
  • Average mass499.798 Da
  • Monoisotopic mass498.008698 Da
  • ChemSpider ID21720447

More details:

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

[3-(4-Chlorophenyl)-1H-pyrazol-4-yl]{4-[(2,6-dichlorophenyl)sulfonyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[3-(4-Chlorophényl)-1H-pyrazol-4-yl]{4-[(2,6-dichlorophényl)sulfonyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
[3-(4-Chlorphenyl)-1H-pyrazol-4-yl]{4-[(2,6-dichlorphenyl)sulfonyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Methanone, [3-(4-chlorophenyl)-1H-pyrazol-4-yl][4-[(2,6-dichlorophenyl)sulfonyl]-1-piperazinyl]- [ACD/Index 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: 747.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.7±35.7 °C
Index of Refraction: 1.660
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 424.73
ACD/KOC (pH 5.5): 2647.29
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 424.71
ACD/KOC (pH 7.4): 2647.17
Polar Surface Area: 95 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 325.5±3.0 cm3

Click to predict properties on the Chemicalize site


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