Found 8 results

Search term: MF = 'C_{21}H_{28}N_{6}O_{7}S_{2}'
ChemSpider 2D Image | N-{3-[5-Hydroxy-2-(3-methylbutyl)-6-(4-morpholinyl)-3-oxo-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide | C21H28N6O7S2

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

  • Molecular FormulaC21H28N6O7S2
  • Average mass540.613 Da
  • Monoisotopic mass540.146057 Da
  • ChemSpider ID24699168

More details:

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

Methanesulfonamide, N-[3-[2,3-dihydro-5-hydroxy-2-(3-methylbutyl)-6-(4-morpholinyl)-3-oxo-4-pyridazinyl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]- [ACD/Index Name]
N-{3-[5-Hydroxy-2-(3-methylbutyl)-6-(4-morpholinyl)-3-oxo-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)-6-(4-morpholinyl)-3-oxo-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)-6-(4-morpholinyl)-3-oxo-2,3-dihydro-4-pyridazinyl]-1,1-dioxydo-2H-1,2,4-benzothiadiazin-7-yl}méthanesulfonamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL478019/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 707.2±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: 1.711
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.33
ACD/LogD (pH 5.5): -2.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 68.0±7.0 dyne/cm
Molar Volume: 335.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement