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

N-{2-Cyano-3-[(5S)-1-(4-fluorobenzyl)-5-(2-methyl-2-propanyl)-2,4-dioxo-3-pyrrolidinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide

  • Molecular FormulaC25H25FN4O6S2
  • Average mass560.618 Da
  • Monoisotopic mass560.119934 Da
  • ChemSpider ID34896897

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

Methanesulfonamide, N-[2-cyano-3-[(5S)-5-(1,1-dimethylethyl)-1-[(4-fluorophenyl)methyl]-2,4-dioxo-3-pyrrolidinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl]- [ACD/Index Name]
N-{2-Cyan-3-[(5S)-1-(4-fluorbenzyl)-5-(2-methyl-2-propanyl)-2,4-dioxo-3-pyrrolidinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methansulfonamid [German] [ACD/IUPAC Name]
N-{2-Cyano-3-[(5S)-1-(4-fluorobenzyl)-5-(2-methyl-2-propanyl)-2,4-dioxo-3-pyrrolidinyl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide [ACD/IUPAC Name]
N-{2-Cyano-3-[(5S)-1-(4-fluorobenzyl)-5-(2-méthyl-2-propanyl)-2,4-dioxo-3-pyrrolidinyl]-1,1-dioxydo-2H-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: 840.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 462.3±37.1 °C
Index of Refraction: 1.667
Molar Refractivity: 140.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 17.67
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 377.3±7.0 cm3

Click to predict properties on the Chemicalize site


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