ChemSpider 2D Image | N-{3-[5-Hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide | C21H23N5O6S3

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

  • Molecular FormulaC21H23N5O6S3
  • Average mass537.632 Da
  • Monoisotopic mass537.081055 Da
  • ChemSpider ID23315042

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-4H-1,2,4-benzothiadiazin-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-1,2,4-benzothiadiazin-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-1,2,4-benzothiadiazin-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-1,2,4-benzothiadiazin-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-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
5-hydroxy- 3(2H)-pyridazinone, 2
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401825/
N-{3-[5-Hydroxy-2-(3-methyl-butyl)-3-oxo-6-thiophen-2-yl-2,3-dihydro-pyridazin-4-yl]-1,1-dioxo-1,4-dihydro-1λ 6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide
N-{3-[5-Hydroxy-2-(3-methyl-butyl)-3-oxo-6-thiophen-2-yl-2,3-dihydro-pyridazin-4-yl]-1,1-dioxo-1,4-dihydro-1λ*6*-benzo[1,2,4]thiadiazin7-yl}-methanesulfonamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 707.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.5±35.7 °C
Index of Refraction: 1.737
Molar Refractivity: 133.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.76
ACD/LogD (pH 7.4): -3.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 332.8±7.0 cm3

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