ChemSpider 2D Image | 4-Chloro-N-{3,4-difluoro-5-[(3R)-5-imino-3,6,6-trimethyl-1,1-dioxido-3-thiomorpholinyl]phenyl}benzamide | C20H20ClF2N3O3S

4-Chloro-N-{3,4-difluoro-5-[(3R)-5-imino-3,6,6-trimethyl-1,1-dioxido-3-thiomorpholinyl]phenyl}benzamide

  • Molecular FormulaC20H20ClF2N3O3S
  • Average mass455.906 Da
  • Monoisotopic mass455.088196 Da
  • ChemSpider ID129142328

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Chlor-N-{3,4-difluor-5-[(3R)-5-imino-3,6,6-trimethyl-1,1-dioxido-3-thiomorpholinyl]phenyl}benzamid [German] [ACD/IUPAC Name]
4-Chloro-N-{3,4-difluoro-5-[(3R)-5-imino-3,6,6-trimethyl-1,1-dioxido-3-thiomorpholinyl]phenyl}benzamide [ACD/IUPAC Name]
4-Chloro-N-{3,4-difluoro-5-[(3R)-5-imino-3,6,6-triméthyl-1,1-dioxydo-3-thiomorpholinyl]phényl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-chloro-N-[3,4-difluoro-5-[(3R)-5-imino-3,6,6-trimethyl-1,1-dioxido-3-thiomorpholinyl]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 110.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 27.19
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 23.68
ACD/KOC (pH 7.4): 319.30
Polar Surface Area: 108 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 315.8±7.0 cm3

Click to predict properties on the Chemicalize site


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