ChemSpider 2D Image | N-Cyclopropyl-N~2~-{[6-fluoro-5-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-1,3-benzothiazol-2-yl][(2-methoxyethyl)sulfonyl]acetyl}glycinamide | C25H25FN4O6S2

N-Cyclopropyl-N2-{[6-fluoro-5-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-1,3-benzothiazol-2-yl][(2-methoxyethyl)sulfonyl]acetyl}glycinamide

  • Molecular FormulaC25H25FN4O6S2
  • Average mass560.618 Da
  • Monoisotopic mass560.119934 Da
  • ChemSpider ID128974419

More details:

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

2-Benzothiazoleacetamide, N-[2-(cyclopropylamino)-2-oxoethyl]-5-(2,3-dihydro-3-oxo-1H-isoindol-5-yl)-6-fluoro-α-[(2-methoxyethyl)sulfonyl]- [ACD/Index Name]
N-Cyclopropyl-N2-{[6-fluor-5-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-1,3-benzothiazol-2-yl][(2-methoxyethyl)sulfonyl]acetyl}glycinamid [German] [ACD/IUPAC Name]
N-Cyclopropyl-N2-{[6-fluoro-5-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-1,3-benzothiazol-2-yl][(2-methoxyethyl)sulfonyl]acetyl}glycinamide [ACD/IUPAC Name]
N-Cyclopropyl-N2-{2-[6-fluoro-5-(3-oxo-2,3-dihydro-1H-isoindol-5-yl)-1,3-benzothiazol-2-yl]-2-[(2-méthoxyéthyl)sulfonyl]acétyl}glycinamide [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: 967.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.1±3.0 kJ/mol
Flash Point: 539.1±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.07
ACD/KOC (pH 5.5): 297.83
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.06
ACD/KOC (pH 7.4): 297.63
Polar Surface Area: 180 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 366.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement