ChemSpider 2D Image | (4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}thieno[3,4-d]pyridazin-1-yl)acetic acid | C17H10F3N3O3S2

(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}thieno[3,4-d]pyridazin-1-yl)acetic acid

  • Molecular FormulaC17H10F3N3O3S2
  • Average mass425.405 Da
  • Monoisotopic mass425.011566 Da
  • ChemSpider ID81409264

More details:

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

(4-Oxo-3-{[5-(trifluormethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrothieno[3,4-d]pyridazin-1-yl)essigsäure [German] [ACD/IUPAC Name]
(4-Oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrothieno[3,4-d]pyridazin-1-yl)acetic acid [ACD/IUPAC Name]
(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}thieno[3,4-d]pyridazin-1-yl)acetic acid
2-(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3H,4H-thieno[3,4-d]pyridazin-1-yl)acetic acid
2170729-29-8 [RN]
Acide (4-oxo-3-{[5-(trifluorométhyl)-1,3-benzothiazol-2-yl]méthyl}-3,4-dihydrothiéno[3,4-d]pyridazin-1-yl)acétique [French] [ACD/IUPAC Name]
Thieno[3,4-d]pyridazine-1-acetic acid, 3,4-dihydro-4-oxo-3-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]- [ACD/Index Name]
2-(4-Oxo-3-((5-(trifluoromethyl)benzo[d]thiazol-2-yl)methyl)-3,4-dihydrothieno[3,4-d]pyridazin-1-yl)acetic acid
AT-007
BS-16512

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

Density: 1.7±0.1 g/cm3
Boiling Point: 610.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 322.9±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 99.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.24
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 247.2±7.0 cm3

Click to predict properties on the Chemicalize site


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