ChemSpider 2D Image | 5-{4-[({[4-(5-Carboxy-2-furyl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | C29H19Cl2N3O5S

5-{4-[({[4-(5-Carboxy-2-furyl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC29H19Cl2N3O5S
  • Average mass592.449 Da
  • Monoisotopic mass591.042236 Da
  • ChemSpider ID35035168

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-[4-[[[[4-(5-carboxy-2-furanyl)phenyl]thioxomethyl]amino]methyl]phenyl]-1-(3,4-dichlorophenyl)- [ACD/Index Name]
5-{4-[({[4-(5-Carboxy-2-furyl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
5-{4-[({[4-(5-Carboxy-2-furyl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorphenyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-{4-[({[4-(5-Carboxyfuran-2-Yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-Dichlorophenyl)-1h-Pyrazole-3-Carboxylic Acid
Acide 5-{4-[({[4-(5-carboxy-2-furyl)phényl]carbonothioyl}amino)méthyl]phényl}-1-(3,4-dichlorophényl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
3J0

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

Density: 1.5±0.1 g/cm3
Boiling Point: 830.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 456.2±37.1 °C
Index of Refraction: 1.703
Molar Refractivity: 154.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 12.46
ACD/KOC (pH 5.5): 16.06
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 7.72
ACD/KOC (pH 7.4): 9.94
Polar Surface Area: 150 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 399.2±7.0 cm3

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