ChemSpider 2D Image | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide | C21H28N6O6S2

N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

  • Molecular FormulaC21H28N6O6S2
  • Average mass524.614 Da
  • Monoisotopic mass524.151184 Da
  • ChemSpider ID24714916

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-(1-pyrrolidinyl)-4-pyridazinyl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]- [ACD/Index Name]
N-{3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(1-pyrrolidinyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide [ACD/IUPAC Name]
N-{3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(1-pyrrolidinyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methansulfonamid [German] [ACD/IUPAC Name]
N-{3-[5-Hydroxy-2-(3-méthylbutyl)-3-oxo-6-(1-pyrrolidinyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxydo-2H-1,2,4-benzothiadiazin-7-yl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515012/
N35

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

Density: 1.6±0.1 g/cm3
Boiling Point: 684.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 368.0±34.3 °C
Index of Refraction: 1.719
Molar Refractivity: 129.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.34
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 67.8±7.0 dyne/cm
Molar Volume: 329.1±7.0 cm3

Click to predict properties on the Chemicalize site


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