ChemSpider 2D Image | 2-[3-Hydroxy-4-(2-methoxybenzoyl)-2-oxo-5-(2-thienyl)-2,5-dihydro-1H-pyrrol-1-yl]-1,3-benzothiazole-6-carboxylic acid | C24H16N2O6S2

2-[3-Hydroxy-4-(2-methoxybenzoyl)-2-oxo-5-(2-thienyl)-2,5-dihydro-1H-pyrrol-1-yl]-1,3-benzothiazole-6-carboxylic acid

  • Molecular FormulaC24H16N2O6S2
  • Average mass492.524 Da
  • Monoisotopic mass492.044983 Da
  • ChemSpider ID24499403

More details:

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

2-[3-Hydroxy-4-(2-methoxybenzoyl)-2-oxo-5-(2-thienyl)-2,5-dihydro-1H-pyrrol-1-yl]-1,3-benzothiazol-6-carbonsäure [German] [ACD/IUPAC Name]
2-[3-Hydroxy-4-(2-methoxybenzoyl)-2-oxo-5-(2-thienyl)-2,5-dihydro-1H-pyrrol-1-yl]-1,3-benzothiazole-6-carboxylic acid [ACD/IUPAC Name]
6-Benzothiazolecarboxylic acid, 2-[2,5-dihydro-3-hydroxy-4-(2-methoxybenzoyl)-2-oxo-5-(2-thienyl)-1H-pyrrol-1-yl]- [ACD/Index Name]
Acide 2-[3-hydroxy-4-(2-méthoxybenzoyl)-2-oxo-5-(2-thiényl)-2,5-dihydro-1H-pyrrol-1-yl]-1,3-benzothiazole-6-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 738.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 400.5±35.7 °C
Index of Refraction: 1.762
Molar Refractivity: 128.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.41
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 84.9±3.0 dyne/cm
Molar Volume: 310.8±3.0 cm3

Click to predict properties on the Chemicalize site


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