ChemSpider 2D Image | (1,1-Dioxido-7-phenyl-1,4-thiazepan-4-yl)(2,4,5-trifluoro-3-methoxyphenyl)methanone | C19H18F3NO4S

(1,1-Dioxido-7-phenyl-1,4-thiazepan-4-yl)(2,4,5-trifluoro-3-methoxyphenyl)methanone

  • Molecular FormulaC19H18F3NO4S
  • Average mass413.411 Da
  • Monoisotopic mass413.090851 Da
  • ChemSpider ID57826263

More details:

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

(1,1-Dioxido-7-phenyl-1,4-thiazepan-4-yl)(2,4,5-trifluor-3-methoxyphenyl)methanon [German] [ACD/IUPAC Name]
(1,1-Dioxido-7-phenyl-1,4-thiazepan-4-yl)(2,4,5-trifluoro-3-methoxyphenyl)methanone [ACD/IUPAC Name]
(1,1-Dioxydo-7-phényl-1,4-thiazépan-4-yl)(2,4,5-trifluoro-3-méthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, (tetrahydro-1,1-dioxido-7-phenyl-1,4-thiazepin-4(5H)-yl)(2,4,5-trifluoro-3-methoxyphenyl)- [ACD/Index Name]
2034527-81-4 [RN]
7-phenyl-4-(2,4,5-trifluoro-3-methoxybenzoyl)-1λ6,4-thiazepane-1,1-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 630.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.1±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 96.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.59
ACD/KOC (pH 5.5): 383.70
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.59
ACD/KOC (pH 7.4): 383.70
Polar Surface Area: 72 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 299.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement