ChemSpider 2D Image | (2R)-2-({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}oxy)propanamide | C23H25N5O6S2

(2R)-2-({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}oxy)propanamide

  • Molecular FormulaC23H25N5O6S2
  • Average mass531.604 Da
  • Monoisotopic mass531.124634 Da
  • ChemSpider ID25057542

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-({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}oxy)propanamid [German] [ACD/IUPAC Name]
(2R)-2-({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}oxy)propanamide [ACD/IUPAC Name]
(2R)-2-({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}oxy)propanamide [French] [ACD/IUPAC Name]
(2R)-2-({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}oxy)propanamide
Propanamide, 2-[[3-[2,3-dihydro-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-4-pyridazinyl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl]oxy]-, (2R)- [ACD/Index Name]
DEY

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

Density: 1.6±0.1 g/cm3
Boiling Point: 746.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 405.2±35.7 °C
Index of Refraction: 1.719
Molar Refractivity: 134.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.76
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 65.3±7.0 dyne/cm
Molar Volume: 340.5±7.0 cm3

Click to predict properties on the Chemicalize site


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