ChemSpider 2D Image | N-{3-[(4R)-4-Methyl-4-(3-methylbutyl)-1,3-dioxo-3,4-dihydro-2(1H)-naphthalenylidene]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide | C24H27N3O6S2

N-{3-[(4R)-4-Methyl-4-(3-methylbutyl)-1,3-dioxo-3,4-dihydro-2(1H)-naphthalenylidene]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

  • Molecular FormulaC24H27N3O6S2
  • Average mass517.618 Da
  • Monoisotopic mass517.134155 Da
  • ChemSpider ID9389893
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Methanesulfonamide, N-[3-[(4R)-3,4-dihydro-4-methyl-4-(3-methylbutyl)-1,3-dioxo-2(1H)-naphthalenylidene]-3,4-dihydro-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl]- [ACD/Index Name]
N-{3-[(4R)-4-Méthyl-4-(3-méthylbutyl)-1,3-dioxo-3,4-dihydro-2(1H)-naphtalénylidène]-1,1-dioxydo-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{3-[(4R)-4-Methyl-4-(3-methylbutyl)-1,3-dioxo-3,4-dihydro-2(1H)-naphthalenylidene]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide [ACD/IUPAC Name]
N-{3-[(4R)-4-Methyl-4-(3-methylbutyl)-1,3-dioxo-3,4-dihydro-2(1H)-naphthalinyliden]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}methansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.3±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 131.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.81
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.95
Polar Surface Area: 155 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 373.5±3.0 cm3

Click to predict properties on the Chemicalize site






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