ChemSpider 2D Image | N-{2-Cyano-3-[1-(4-fluorobenzyl)-4-hydroxy-5-(2-methyl-2-propanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide | C25H25FN4O6S2

N-{2-Cyano-3-[1-(4-fluorobenzyl)-4-hydroxy-5-(2-methyl-2-propanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide

  • Molecular FormulaC25H25FN4O6S2
  • Average mass560.618 Da
  • Monoisotopic mass560.119934 Da
  • ChemSpider ID34551859

More details:

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

Methanesulfonamide, N-[2-cyano-3-[5-(1,1-dimethylethyl)-1-[(4-fluorophenyl)methyl]-2,5-dihydro-4-hydroxy-2-oxo-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl]- [ACD/Index Name]
N-{2-Cyan-3-[1-(4-fluorbenzyl)-4-hydroxy-5-(2-methyl-2-propanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methansulfonamid [German] [ACD/IUPAC Name]
N-{2-Cyano-3-[1-(4-fluorobenzyl)-4-hydroxy-5-(2-methyl-2-propanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide [ACD/IUPAC Name]
N-{2-Cyano-3-[1-(4-fluorobenzyl)-4-hydroxy-5-(2-méthyl-2-propanyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxydo-4H-1,4-benzothiazin-7-yl}méthanesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 669.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.8±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 28.35
ACD/LogD (pH 7.4): -2.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 362.1±5.0 cm3

Click to predict properties on the Chemicalize site


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