Found 1 result

Search term: BIRTVLIYTDXUDJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-({(3R)-3-[(3S)-1-(3-Methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydro-3-quinolinyl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide | C23H26N4O6S

2-({(3R)-3-[(3S)-1-(3-Methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydro-3-quinolinyl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide

  • Molecular FormulaC23H26N4O6S
  • Average mass486.541 Da
  • Monoisotopic mass486.157000 Da
  • ChemSpider ID25060781

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-({(3R)-3-[(3S)-1-(3-Methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydro-3-chinolinyl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamid [German] [ACD/IUPAC Name]
2-({(3R)-3-[(3S)-1-(3-Méthylbutyl)-2,4-dioxo-1,2,3,4-tétrahydro-3-quinoléinyl]-1,1-dioxydo-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acétamide [French] [ACD/IUPAC Name]
2-({(3R)-3-[(3S)-1-(3-Methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydro-3-quinolinyl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide [ACD/IUPAC Name]
Acetamide, 2-[[(3R)-3,4-dihydro-1,1-dioxido-3-[(3S)-1,2,3,4-tetrahydro-1-(3-methylbutyl)-2,4-dioxo-3-quinolinyl]-2H-1,2,4-benzothiadiazin-7-yl]oxy]- [ACD/Index Name]

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

Density: 1.4±0.0 g/cm3
Boiling Point: 832.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 120.9±0.0 kJ/mol
Flash Point: 457.1±0.0 °C
Index of Refraction: 1.610
Molar Refractivity: 123.9±0.0 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.15
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.14
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 49.1±0.0 10-24cm3
Surface Tension: 55.4±0.0 dyne/cm
Molar Volume: 357.6±0.0 cm3

Click to predict properties on the Chemicalize site


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