ChemSpider 2D Image | 4-(1-Azepanylsulfonyl)-N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide | C27H26FN3O3S2

4-(1-Azepanylsulfonyl)-N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

  • Molecular FormulaC27H26FN3O3S2
  • Average mass523.642 Da
  • Monoisotopic mass523.139954 Da
  • ChemSpider ID20838096

More details:

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

4-(1-Azepanylsulfonyl)-N-benzyl-N-(6-fluor-1,3-benzothiazol-2-yl)benzamid [German] [ACD/IUPAC Name]
4-(1-Azepanylsulfonyl)-N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide [ACD/IUPAC Name]
4-(1-Azépanylsulfonyl)-N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, N-(6-fluoro-2-benzothiazolyl)-4-[(hexahydro-1H-azepin-1-yl)sulfonyl]-N-(phenylmethyl)- [ACD/Index Name]
4-(azepan-1-ylsulfonyl)-N-benzyl-N-(6-fluorobenzo[d]thiazol-2-yl)benzamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.5±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11089.08
ACD/KOC (pH 5.5): 27347.78
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11089.38
ACD/KOC (pH 7.4): 27348.50
Polar Surface Area: 107 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 381.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement