ChemSpider 2D Image | {1,1-Dioxido-4-[4-(trifluoromethoxy)phenyl]-4H-1,4-benzothiazin-2-yl}(4-methyl-1-piperidinyl)methanone | C22H21F3N2O4S

{1,1-Dioxido-4-[4-(trifluoromethoxy)phenyl]-4H-1,4-benzothiazin-2-yl}(4-methyl-1-piperidinyl)methanone

  • Molecular FormulaC22H21F3N2O4S
  • Average mass466.473 Da
  • Monoisotopic mass466.117401 Da
  • ChemSpider ID25185417

More details:

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

{1,1-Dioxido-4-[4-(trifluormethoxy)phenyl]-4H-1,4-benzothiazin-2-yl}(4-methyl-1-piperidinyl)methanon [German] [ACD/IUPAC Name]
{1,1-Dioxido-4-[4-(trifluoromethoxy)phenyl]-4H-1,4-benzothiazin-2-yl}(4-methyl-1-piperidinyl)methanone [ACD/IUPAC Name]
{1,1-Dioxydo-4-[4-(trifluorométhoxy)phényl]-4H-1,4-benzothiazin-2-yl}(4-méthyl-1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [1,1-dioxido-4-[4-(trifluoromethoxy)phenyl]-4H-1,4-benzothiazin-2-yl](4-methyl-1-piperidinyl)- [ACD/Index Name]
(1,1-dioxido-4-(4-(trifluoromethoxy)phenyl)-4H-benzo[b][1,4]thiazin-2-yl)(4-methylpiperidin-1-yl)methanone
[1,1-Dioxo-4-(4-trifluoromethoxy-phenyl)-1,4-dihydro-1λ*6*-benzo[1,4]thiazin-2-yl]-(4-methyl-piperidin-1-yl)-methanone
{1,1-dioxido-4-[4-(trifluoromethoxy)phenyl]-4H-1,4-benzothiazin-2-yl}(4-methylpiperidin-1-yl)methanone
1251561-63-3 [RN]
2-[(4-methylpiperidin-1-yl)carbonyl]-4-[4-(trifluoromethoxy)phenyl]-4H-1,4-benzothiazine 1,1-dioxide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 597.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.3±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 196.05
ACD/KOC (pH 5.5): 1522.26
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.05
ACD/KOC (pH 7.4): 1522.26
Polar Surface Area: 75 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 334.6±3.0 cm3

Click to predict properties on the Chemicalize site


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