ChemSpider 2D Image | 5-[3-Chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]-2-furoic acid | C28H18Cl3N3O3S

5-[3-Chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]-2-furoic acid

  • Molecular FormulaC28H18Cl3N3O3S
  • Average mass582.885 Da
  • Monoisotopic mass581.013428 Da
  • ChemSpider ID35033778

More details:

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

2-Furancarboxylic acid, 5-[3-chloro-4-[[[[4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]phenyl]methyl]amino]thioxomethyl]phenyl]- [ACD/Index Name]
5-[3-Chlor-4-({4-[1-(3,4-dichlorphenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]-2-furoesäure [German] [ACD/IUPAC Name]
5-[3-Chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]-2-furoic acid [ACD/IUPAC Name]
5-[3-Chloro-4-({4-[1-(3,4-Dichlorophenyl)-1h-Pyrazol-5-Yl]benzyl}carbamothioyl)phenyl]furan-2-Carboxylic Acid
Acide 5-[3-chloro-4-({4-[1-(3,4-dichlorophényl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phényl]-2-furoïque [French] [ACD/IUPAC Name]
1XU

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

Density: 1.5±0.1 g/cm3
Boiling Point: 766.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.2±35.7 °C
Index of Refraction: 1.696
Molar Refractivity: 153.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 482.39
ACD/KOC (pH 5.5): 555.88
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 118.79
ACD/KOC (pH 7.4): 136.89
Polar Surface Area: 112 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 398.0±7.0 cm3

Click to predict properties on the Chemicalize site


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