ChemSpider 2D Image | N-{3-[(3R)-5-Amino-3,6,6-trimethyl-1,1-dioxido-3,6-dihydro-2H-1,4-thiazin-3-yl]-4-fluorophenyl}-4-chloro-2-fluorobenzamide | C20H20ClF2N3O3S

N-{3-[(3R)-5-Amino-3,6,6-trimethyl-1,1-dioxido-3,6-dihydro-2H-1,4-thiazin-3-yl]-4-fluorophenyl}-4-chloro-2-fluorobenzamide

  • Molecular FormulaC20H20ClF2N3O3S
  • Average mass455.906 Da
  • Monoisotopic mass455.088196 Da
  • ChemSpider ID129146507

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[3-[(3R)-5-amino-3,6-dihydro-3,6,6-trimethyl-1,1-dioxido-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-4-chloro-2-fluoro- [ACD/Index Name]
N-{3-[(3R)-5-Amino-3,6,6-trimethyl-1,1-dioxido-3,6-dihydro-2H-1,4-thiazin-3-yl]-4-fluorophenyl}-4-chloro-2-fluorobenzamide [ACD/IUPAC Name]
N-{3-[(3R)-5-Amino-3,6,6-trimethyl-1,1-dioxido-3,6-dihydro-2H-1,4-thiazin-3-yl]-4-fluorphenyl}-4-chlor-2-fluorbenzamid [German] [ACD/IUPAC Name]
N-{3-[(3R)-5-Amino-3,6,6-triméthyl-1,1-dioxydo-3,6-dihydro-2H-1,4-thiazin-3-yl]-4-fluorophényl}-4-chloro-2-fluorobenzamide [French] [ACD/IUPAC 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: 0.98
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.48
ACD/KOC (pH 5.5): 183.47
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.20
ACD/KOC (pH 7.4): 196.14
Polar Surface Area: 110 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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