ChemSpider 2D Image | 2-({3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide | C21H22N6O6S2

2-({3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide

  • Molecular FormulaC21H22N6O6S2
  • Average mass518.566 Da
  • Monoisotopic mass518.104248 Da
  • ChemSpider ID23313029

More details:






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

2-({3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamid [German] [ACD/IUPAC Name]
2-({3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide [ACD/IUPAC Name]
2-({3-[5-Hydroxy-2-(3-méthylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxydo-2H-1,2,4-benzothiadiazin-7-yl}oxy)acétamide [French] [ACD/IUPAC Name]
2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide
2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide
Acetamide, 2-[[3-[2,3-dihydro-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(5-thiazolyl)-4-pyridazinyl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]oxy]- [ACD/Index Name]
1PD
2-{3-[5-hydroxy-2-(3-methyl-butyl)-3-oxo-6-thiazol-5-yl-2,3-dihydro-pyridazin-4-yl]-1,1-dioxo-1,4-dihydro-1λ*6*-benzo[1,2,4]thiadiazin-7-yloxy}-acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 766.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.4±35.7 °C
Index of Refraction: 1.753
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): -3.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 73.1±7.0 dyne/cm
Molar Volume: 314.0±7.0 cm3

Click to predict properties on the Chemicalize site






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