ChemSpider 2D Image | (8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}pyrazino[2,3-d]pyridazin-5-yl)acetic acid | C17H10F3N5O3S

(8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}pyrazino[2,3-d]pyridazin-5-yl)acetic acid

  • Molecular FormulaC17H10F3N5O3S
  • Average mass421.353 Da
  • Monoisotopic mass421.045654 Da
  • ChemSpider ID38772337

More details:

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

(8-Oxo-7-{[5-(trifluormethyl)-1,3-benzothiazol-2-yl]methyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)essigsäure [German] [ACD/IUPAC Name]
(8-Oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acetic acid [ACD/IUPAC Name]
(8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}pyrazino[2,3-d]pyridazin-5-yl)acetic acid
1355612-71-3 [RN]
2-(8-oxo-7-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-7H,8H-pyrazino[2,3-d]pyridazin-5-yl)acetic acid
Acide (8-oxo-7-{[5-(trifluorométhyl)-1,3-benzothiazol-2-yl]méthyl}-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl)acétique [French] [ACD/IUPAC Name]
Pyrazino[2,3-d]pyridazine-5-acetic acid, 7,8-dihydro-8-oxo-7-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]- [ACD/Index Name]
7,8-dihydro-8-oxo-7-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]-pyrazino[2,3-d]pyridazine-5-acetic acid ?
Aldose reductase-IN-1
AT-001
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Aldose reductase MedChem Express HY-18967
      Aldose reductase-IN-1 is a inhibitor of aldose reductase with IC50 of 28.9 pM.; IC50 value: 28.9 pM; Target: aldose reductase; Detailed information please refer to WO2014113380 A1 and US20130225592. MedChem Express HY-18967
      Aldose reductase-IN-1 is a inhibitor of aldose reductase with IC50 of 28.9 pM.;IC50 value: 28.9 pM;Target: aldose reductaseDetailed information please refer to WO2014113380 A1 and US20130225592. MedChem Express HY-18967
      Metabolic Enzyme/Protease; MedChem Express HY-18967
      Others MedChem Express HY-18967

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

Density: 1.7±0.1 g/cm3
Boiling Point: 632.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 336.1±34.3 °C
Index of Refraction: 1.737
Molar Refractivity: 97.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 242.1±7.0 cm3

Click to predict properties on the Chemicalize site


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