ChemSpider 2D Image | 4-{[4-Amino-5-(3-pyridinylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid | C16H12N4O3S

4-{[4-Amino-5-(3-pyridinylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid

  • Molecular FormulaC16H12N4O3S
  • Average mass340.357 Da
  • Monoisotopic mass340.063019 Da
  • ChemSpider ID30811058

More details:

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

4-{[4-Amino-5-(3-pyridinylcarbonyl)-1,3-thiazol-2-yl]amino}benzoesäure [German] [ACD/IUPAC Name]
4-{[4-Amino-5-(3-pyridinylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid [ACD/IUPAC Name]
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzoic Acid
Acide 4-{[4-amino-5-(3-pyridinylcarbonyl)-1,3-thiazol-2-yl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-amino-5-(3-pyridinylcarbonyl)-2-thiazolyl]amino]- [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: 659.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.8±34.3 °C
Index of Refraction: 1.747
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 2.76
ACD/KOC (pH 5.5): 32.62
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 84.3±3.0 dyne/cm
Molar Volume: 224.3±3.0 cm3

Click to predict properties on the Chemicalize site


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