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Search term: OSYHMYWMHCPKMQ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-(4-{[6-(5-Carboxy-2-furyl)-1-thioxo-3,4-dihydro-2(1H)-isoquinolinyl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | C31H21Cl2N3O5S

5-(4-{[6-(5-Carboxy-2-furyl)-1-thioxo-3,4-dihydro-2(1H)-isoquinolinyl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC31H21Cl2N3O5S
  • Average mass618.487 Da
  • Monoisotopic mass617.057922 Da
  • ChemSpider ID35035164

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-[4-[[6-(5-carboxy-2-furanyl)-3,4-dihydro-1-thioxo-2(1H)-isoquinolinyl]methyl]phenyl]-1-(3,4-dichlorophenyl)- [ACD/Index Name]
5-(4-{[6-(5-Carboxy-2-furyl)-1-thioxo-3,4-dihydro-2(1H)-isochinolinyl]methyl}phenyl)-1-(3,4-dichlorphenyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(4-{[6-(5-Carboxy-2-furyl)-1-thioxo-3,4-dihydro-2(1H)-isoquinolinyl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
5-(4-{[6-(5-Carboxyfuran-2-Yl)-1-Thioxo-3,4-Dihydroisoquinolin-2(1h)-Yl]methyl}phenyl)-1-(3,4-Dichlorophenyl)-1h-Pyrazole-3-Carboxylic Acid
Acide 5-(4-{[6-(5-carboxy-2-furyl)-1-thioxo-3,4-dihydro-2(1H)-isoquinoléinyl]méthyl}phényl)-1-(3,4-dichlorophényl)-1H-pyrazole-3-carboxylique [French] [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: 862.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±3.0 kJ/mol
Flash Point: 475.7±37.1 °C
Index of Refraction: 1.726
Molar Refractivity: 162.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 15.69
ACD/KOC (pH 5.5): 19.76
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 8.37
ACD/KOC (pH 7.4): 10.54
Polar Surface Area: 141 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 408.8±7.0 cm3

Click to predict properties on the Chemicalize site


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