ChemSpider 2D Image | 2-Fluoro-5-[(7-phenyl-1,4-thiazepan-4-yl)sulfonyl]benzoic acid | C18H18FNO4S2

2-Fluoro-5-[(7-phenyl-1,4-thiazepan-4-yl)sulfonyl]benzoic acid

  • Molecular FormulaC18H18FNO4S2
  • Average mass395.468 Da
  • Monoisotopic mass395.066132 Da
  • ChemSpider ID31082992

More details:

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

2-Fluor-5-[(7-phenyl-1,4-thiazepan-4-yl)sulfonyl]benzoesäure [German] [ACD/IUPAC Name]
2-Fluoro-5-[(7-phenyl-1,4-thiazepan-4-yl)sulfonyl]benzoic acid [ACD/IUPAC Name]
Acide 2-fluoro-5-[(7-phényl-1,4-thiazépan-4-yl)sulfonyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-fluoro-5-[(tetrahydro-7-phenyl-1,4-thiazepin-4(5H)-yl)sulfonyl]- [ACD/Index Name]
1795302-15-6 [RN]
2-fluoro-5-((7-phenyl-1,4-thiazepan-4-yl)sulfonyl)benzoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 601.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.3±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 99.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.62
ACD/KOC (pH 5.5): 9.57
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.22
Polar Surface Area: 108 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 282.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement