ChemSpider 2D Image | N-{3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide | C22H24N4O6S3

N-{3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide

  • Molecular FormulaC22H24N4O6S3
  • Average mass536.644 Da
  • Monoisotopic mass536.085815 Da
  • ChemSpider ID25057487

More details:






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

Methanesulfonamide, N-[3-[2,3-dihydro-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-4-pyridazinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl]- [ACD/Index Name]
N-{3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide [ACD/IUPAC Name]
N-{3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methansulfonamid [German] [ACD/IUPAC Name]
N-{3-[5-Hydroxy-2-(3-méthylbutyl)-3-oxo-6-(2-thiényl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxydo-2H-1,4-benzothiazin-7-yl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide
321
benzothiazine-containing analog, 3a

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

Density: 1.6±0.1 g/cm3
Boiling Point: 715.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.5±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.80
ACD/LogD (pH 7.4): -2.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 65.3±7.0 dyne/cm
Molar Volume: 344.2±7.0 cm3

Click to predict properties on the Chemicalize site






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